N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide

C15H21ClN2OS — CID 91843440

IUPACN-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C2CCSCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-11-9-12(3-4-14(11)16)17-15(19)10-18(2)13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyHEVQUKUSQSEWNF-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.41
Rot. Bonds4

About N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide

N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide (PubChem CID 91843440) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
PubChem CID91843440
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C2CCSCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-11-9-12(3-4-14(11)16)17-15(19)10-18(2)13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyHEVQUKUSQSEWNF-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
CID 124758452
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 50971822
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
CID 97329451
2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847741
2-[[(1R,3S)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847739
2-[[(1R,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847742
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide (CID 91843440) is N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide is Cc1cc(NC(=O)CN(C)C2CCSCC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide?
The InChIKey is HEVQUKUSQSEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-11-9-12(3-4-14(11)16)17-15(19)10-18(2)13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide?
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide has a molecular weight of 312.87 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide is sourced from PubChem (CID 91843440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).