4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide

C18H19ClN2O2S — CID 87026803

IUPAC4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)20-18(23)13-6-9-15(19)16(10-13)21-17(22)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyMCZMTBAGDVPXNO-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.45
Rot. Bonds5

About 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide

4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 87026803) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID87026803
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)20-18(23)13-6-9-15(19)16(10-13)21-17(22)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyMCZMTBAGDVPXNO-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
3-[(4-bromo-3-nitrobenzoyl)amino]-4-chloro-N-propan-2-ylbenzamide
CID 55896579
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 87026799
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide (CID 87026803) is 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide is CSc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is MCZMTBAGDVPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-11(2)20-18(23)13-6-9-15(19)16(10-13)21-17(22)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide?
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 87026803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).