N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide

C32H43N3O6S — CID 19855912

IUPACN-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide
SMILESCCCCOc1ccc(N(CCCN(C)CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C32H43N3O6S/c1-6-7-23-41-29-16-14-28(15-17-29)35(32(36)26-10-12-27(13-11-26)33-42(5,37)38)21-8-20-34(2)22-19-25-9-18-30(39-3)31(24-25)40-4/h9-18,24,33H,6-8,19-23H2,1-5H3
InChIKeyQEAAHIWCCHVILT-UHFFFAOYSA-N
MW597.78 g/mol
LogP5.47
Rot. Bonds17

About N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide

N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide (PubChem CID 19855912) has the molecular formula C32H43N3O6S and a molecular weight of 597.78 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide
PubChem CID19855912
Molecular FormulaC32H43N3O6S
Molecular Weight597.78 g/mol
Exact Mass597.29
IUPAC NameN-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide
SMILESCCCCOc1ccc(N(CCCN(C)CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C32H43N3O6S/c1-6-7-23-41-29-16-14-28(15-17-29)35(32(36)26-10-12-27(13-11-26)33-42(5,37)38)21-8-20-34(2)22-19-25-9-18-30(39-3)31(24-25)40-4/h9-18,24,33H,6-8,19-23H2,1-5H3
InChIKeyQEAAHIWCCHVILT-UHFFFAOYSA-N
XLogP5.47
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.78
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide 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

4-cyano-N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]benzamide
CID 70065643
N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]pyridine-4-carboxamide
CID 70057809
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 15072509
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
(E)-but-2-enedioic acid;N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzamide
CID 56682884
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-methylbenzamide
CID 59969584
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyridin-2-ylsulfonylphenoxy)propan-1-amine;oxalic acid
CID 19759124
3-[3-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoyloxy]propoxy]propoxy]propyl butanoate
CID 59793356
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide (CID 19855912) is N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide is CCCCOc1ccc(N(CCCN(C)CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide?
The InChIKey is QEAAHIWCCHVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O6S/c1-6-7-23-41-29-16-14-28(15-17-29)35(32(36)26-10-12-27(13-11-26)33-42(5,37)38)21-8-20-34(2)22-19-25-9-18-30(39-3)31(24-25)40-4/h9-18,24,33H,6-8,19-23H2,1-5H3.
What are the key properties of N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide?
N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide has a molecular weight of 597.78 g/mol, XLogP of 5.47, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 19855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).