3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide

C21H26N2O2S — CID 4304352

IUPAC3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(2)11-12-22-21(25)17-7-10-20(19(13-17)23-16(4)24)26-18-8-5-15(3)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWGDVVOLCWWVJQN-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.88
Rot. Bonds7

About 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide

3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide (PubChem CID 4304352) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
PubChem CID4304352
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(2)11-12-22-21(25)17-7-10-20(19(13-17)23-16(4)24)26-18-8-5-15(3)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWGDVVOLCWWVJQN-UHFFFAOYSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4052471
3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-chlorophenyl)sulfanylbenzamide
CID 20967933
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
CID 4304118
3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 5143383
3-acetamido-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 20968061
3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 5143379
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 3444820
3-acetamido-N-[3-(dipropylamino)propyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 20967928
N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide
CID 4306358
N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4256449
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1020096

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide (CID 4304352) is 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Sc1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide?
The InChIKey is WGDVVOLCWWVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)11-12-22-21(25)17-7-10-20(19(13-17)23-16(4)24)26-18-8-5-15(3)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide?
3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide has a molecular weight of 370.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 4304352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).