2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

C19H21ClN4O3S — CID 24674627

IUPAC2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN4O3S/c1-12(17(26)22-18-15(16(21)25)6-11-28-18)23-7-9-24(10-8-23)19(27)13-2-4-14(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyIUTHAAMKDYNFDE-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (PubChem CID 24674627) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
PubChem CID24674627
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN4O3S/c1-12(17(26)22-18-15(16(21)25)6-11-28-18)23-7-9-24(10-8-23)19(27)13-2-4-14(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyIUTHAAMKDYNFDE-UHFFFAOYSA-N
XLogP2.29
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 18286430
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 36875697

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (CID 24674627) is 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is IUTHAAMKDYNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-12(17(26)22-18-15(16(21)25)6-11-28-18)23-7-9-24(10-8-23)19(27)13-2-4-14(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 24674627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).