5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide

C19H16ClN3O2S — CID 23630167

IUPAC5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2C)s1
InChIInChI=1S/C19H16ClN3O2S/c1-11-6-7-15(22-18(24)13-4-3-5-14(20)8-13)9-16(11)19(25)23-17-10-21-12(2)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZGFCBCUNFIJQBC-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.92
Rot. Bonds4

About 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide

5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23630167) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23630167
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2C)s1
InChIInChI=1S/C19H16ClN3O2S/c1-11-6-7-15(22-18(24)13-4-3-5-14(20)8-13)9-16(11)19(25)23-17-10-21-12(2)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZGFCBCUNFIJQBC-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23630167) is 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2C)s1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is ZGFCBCUNFIJQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-6-7-15(22-18(24)13-4-3-5-14(20)8-13)9-16(11)19(25)23-17-10-21-12(2)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).