N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide

C19H26N2O4S — CID 60609634

IUPACN-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C19H26N2O4S/c1-15-13-17(24-4)18(25-5)14-19(15)26(22,23)21(12-11-20(2)3)16-9-7-6-8-10-16/h6-10,13-14H,11-12H2,1-5H3
InChIKeyJKOGKCUCVCQRGZ-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 60609634) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
PubChem CID60609634
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C19H26N2O4S/c1-15-13-17(24-4)18(25-5)14-19(15)26(22,23)21(12-11-20(2)3)16-9-7-6-8-10-16/h6-10,13-14H,11-12H2,1-5H3
InChIKeyJKOGKCUCVCQRGZ-UHFFFAOYSA-N
XLogP2.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methoxy-5-nitro-N-phenylbenzenesulfonamide
CID 60604235
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541458
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
N-[2-(dimethylamino)ethyl]-2-methyl-5-nitro-N-phenylbenzenesulfonamide
CID 47085851
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
CID 60604234
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
CID 60609661
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide (CID 60609634) is N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is JKOGKCUCVCQRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15-13-17(24-4)18(25-5)14-19(15)26(22,23)21(12-11-20(2)3)16-9-7-6-8-10-16/h6-10,13-14H,11-12H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 60609634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).