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

C18H21ClN4O2S — CID 46558698

IUPAC2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN4O2S/c1-12(17(25)21-18-13(16(20)24)6-11-26-18)22-7-9-23(10-8-22)15-5-3-2-4-14(15)19/h2-6,11-12H,7-10H2,1H3,(H2,20,24)(H,21,25)
InChIKeyRGQPXBMPQTZRRL-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.65
Rot. Bonds5

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

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (PubChem CID 46558698) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
PubChem CID46558698
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN4O2S/c1-12(17(25)21-18-13(16(20)24)6-11-26-18)22-7-9-23(10-8-22)15-5-3-2-4-14(15)19/h2-6,11-12H,7-10H2,1H3,(H2,20,24)(H,21,25)
InChIKeyRGQPXBMPQTZRRL-UHFFFAOYSA-N
XLogP2.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.65
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
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9249806
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
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-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (CID 46558698) is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is RGQPXBMPQTZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-12(17(25)21-18-13(16(20)24)6-11-26-18)22-7-9-23(10-8-22)15-5-3-2-4-14(15)19/h2-6,11-12H,7-10H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 46558698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).