4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide

C20H25N3O3S — CID 142775316

IUPAC4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide
SMILESCOc1c(NC(=O)CC2CCCCCC2)ccc(C(N)=O)c1-c1nccs1
InChIInChI=1S/C20H25N3O3S/c1-26-18-15(23-16(24)12-13-6-4-2-3-5-7-13)9-8-14(19(21)25)17(18)20-22-10-11-27-20/h8-11,13H,2-7,12H2,1H3,(H2,21,25)(H,23,24)
InChIKeyOFQVQKGIPYFMBR-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.22
Rot. Bonds6

About 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide

4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide (PubChem CID 142775316) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide
PubChem CID142775316
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide
SMILESCOc1c(NC(=O)CC2CCCCCC2)ccc(C(N)=O)c1-c1nccs1
InChIInChI=1S/C20H25N3O3S/c1-26-18-15(23-16(24)12-13-6-4-2-3-5-7-13)9-8-14(19(21)25)17(18)20-22-10-11-27-20/h8-11,13H,2-7,12H2,1H3,(H2,21,25)(H,23,24)
InChIKeyOFQVQKGIPYFMBR-UHFFFAOYSA-N
XLogP4.22
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 11314022
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-cyclohexyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274700
2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 860551
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide (CID 142775316) is 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide is COc1c(NC(=O)CC2CCCCCC2)ccc(C(N)=O)c1-c1nccs1.
What is the InChIKey of 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OFQVQKGIPYFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-26-18-15(23-16(24)12-13-6-4-2-3-5-7-13)9-8-14(19(21)25)17(18)20-22-10-11-27-20/h8-11,13H,2-7,12H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide?
4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 142775316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).