N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate

C32H50N2O12S2 — CID 161178849

IUPACN-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate
SMILESCCCCN(C)S(=O)(=O)c1c(C)cc(OCCOC)cc1C.COCCOc1cc(C)c(S(=O)(=O)N(C)CCOC=O)c(C)c1.O=C=O
InChIInChI=1S/C16H27NO4S.C15H23NO6S.CO2/c1-6-7-8-17(4)22(18,19)16-13(2)11-15(12-14(16)3)21-10-9-20-5;1-12-9-14(22-8-7-20-4)10-13(2)15(12)23(18,19)16(3)5-6-21-11-17;2-1-3/h11-12H,6-10H2,1-5H3;9-11H,5-8H2,1-4H3;
InChIKeyUSEDWGRLYGLBGK-UHFFFAOYSA-N
MW718.89 g/mol
LogP3.29
Rot. Bonds19

About N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate

N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate (PubChem CID 161178849) has the molecular formula C32H50N2O12S2 and a molecular weight of 718.89 g/mol. Its IUPAC name is N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate.

Molecular Properties

Compound NameN-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate
PubChem CID161178849
Molecular FormulaC32H50N2O12S2
Molecular Weight718.89 g/mol
Exact Mass718.28
IUPAC NameN-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate
SMILESCCCCN(C)S(=O)(=O)c1c(C)cc(OCCOC)cc1C.COCCOc1cc(C)c(S(=O)(=O)N(C)CCOC=O)c(C)c1.O=C=O
InChIInChI=1S/C16H27NO4S.C15H23NO6S.CO2/c1-6-7-8-17(4)22(18,19)16-13(2)11-15(12-14(16)3)21-10-9-20-5;1-12-9-14(22-8-7-20-4)10-13(2)15(12)23(18,19)16(3)5-6-21-11-17;2-1-3/h11-12H,6-10H2,1-5H3;9-11H,5-8H2,1-4H3;
InChIKeyUSEDWGRLYGLBGK-UHFFFAOYSA-N
XLogP3.29
TPSA172.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon dioxide;N-(2-ethylsulfanylethyl)-4-methoxy-N,2,6-trimethylbenzenesulfonamide;2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethylsulfanylmethyl formate
CID 160940446
2-[(2,3-dichloro-4-methoxy-6-methylphenyl)sulfonyl-methylamino]ethyl formate
CID 58529248
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
3-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]propanoic acid
CID 59820094
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
1,3-dimethyl-2-methylsulfonyl-5-tricosoxybenzene
CID 70896677
4-hexadecoxy-2,6-dimethylbenzenesulfonic acid
CID 4082127
4-(dimethylamino)-N-[4-[3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanoylamino]phenyl]butanamide
CID 59597782
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
4-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylaniline;N-[4-[4-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylphenyl]-3-oxobutyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethyl formate;hydrochloride
CID 159406148
N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329442
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate?
The IUPAC name of N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate (CID 161178849) is N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate.
What is the SMILES notation for N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate?
The canonical SMILES for N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate is CCCCN(C)S(=O)(=O)c1c(C)cc(OCCOC)cc1C.COCCOc1cc(C)c(S(=O)(=O)N(C)CCOC=O)c(C)c1.O=C=O.
What is the InChIKey of N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate?
The InChIKey is USEDWGRLYGLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S.C15H23NO6S.CO2/c1-6-7-8-17(4)22(18,19)16-13(2)11-15(12-14(16)3)21-10-9-20-5;1-12-9-14(22-8-7-20-4)10-13(2)15(12)23(18,19)16(3)5-6-21-11-17;2-1-3/h11-12H,6-10H2,1-5H3;9-11H,5-8H2,1-4H3;.
What are the key properties of N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate?
N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate has a molecular weight of 718.89 g/mol, XLogP of 3.29, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate is sourced from PubChem (CID 161178849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).