N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide

C16H16ClN3O3S — CID 26469275

IUPACN-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(=O)c1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClN3O3S/c1-10(21)13-9-24-16(19-13)20-14(22)3-2-8-18-15(23)11-4-6-12(17)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyUWEYMTBWHKOBQV-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide

N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 26469275) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID26469275
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(=O)c1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClN3O3S/c1-10(21)13-9-24-16(19-13)20-14(22)3-2-8-18-15(23)11-4-6-12(17)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyUWEYMTBWHKOBQV-UHFFFAOYSA-N
XLogP3.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002
N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
CID 46113972
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 16550158
4-chloro-N-[4-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 46680338
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide (CID 26469275) is N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide is CC(=O)c1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is UWEYMTBWHKOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-10(21)13-9-24-16(19-13)20-14(22)3-2-8-18-15(23)11-4-6-12(17)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 365.84 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 26469275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).