N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide

C22H29NO2S — CID 132655838

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C22H29NO2S/c1-15(2)14-20(17-10-12-18(25-5)13-11-17)23-22(24)19-8-6-7-9-21(19)26-16(3)4/h6-13,15-16,20H,14H2,1-5H3,(H,23,24)
InChIKeyNCMLEAPCNNKCCW-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.71
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide

N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 132655838) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID132655838
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C22H29NO2S/c1-15(2)14-20(17-10-12-18(25-5)13-11-17)23-22(24)19-8-6-7-9-21(19)26-16(3)4/h6-13,15-16,20H,14H2,1-5H3,(H,23,24)
InChIKeyNCMLEAPCNNKCCW-UHFFFAOYSA-N
XLogP5.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide 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

2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 99132104
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide (CID 132655838) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide is COc1ccc(C(CC(C)C)NC(=O)c2ccccc2SC(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is NCMLEAPCNNKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-15(2)14-20(17-10-12-18(25-5)13-11-17)23-22(24)19-8-6-7-9-21(19)26-16(3)4/h6-13,15-16,20H,14H2,1-5H3,(H,23,24).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 371.55 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 132655838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).