5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide

C20H25ClN2O2S — CID 55734516

IUPAC5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C20H25ClN2O2S/c1-4-5-6-9-14(3)22-20(25)18-13(2)12-17(26-18)23-19(24)15-10-7-8-11-16(15)21/h7-8,10-12,14H,4-6,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyJENUJVQRYBEBLA-UHFFFAOYSA-N
MW392.95 g/mol
LogP5.66
Rot. Bonds8

About 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide (PubChem CID 55734516) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
PubChem CID55734516
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C20H25ClN2O2S/c1-4-5-6-9-14(3)22-20(25)18-13(2)12-17(26-18)23-19(24)15-10-7-8-11-16(15)21/h7-8,10-12,14H,4-6,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyJENUJVQRYBEBLA-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.95
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78887382
2-chloro-N-[5-[[(4-ethylbenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55788870
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55826865
N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86968195
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide
CID 154774868
5-[(2-chlorobenzoyl)amino]-N-[(3-ethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 55844403
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(2R)-2-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 120653979

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide (CID 55734516) is 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide is CCCCCC(C)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide?
The InChIKey is JENUJVQRYBEBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-4-5-6-9-14(3)22-20(25)18-13(2)12-17(26-18)23-19(24)15-10-7-8-11-16(15)21/h7-8,10-12,14H,4-6,9H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide has a molecular weight of 392.95 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55734516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).