N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide

C27H28N4OS — CID 110503327

IUPACN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)sc2ccccc12
InChIInChI=1S/C27H28N4OS/c1-2-8-23-22-11-6-7-12-24(22)33-26(23)27(32)29-20-13-14-25(28-19-20)31-17-15-30(16-18-31)21-9-4-3-5-10-21/h3-7,9-14,19H,2,8,15-18H2,1H3,(H,29,32)
InChIKeyNTSHXZPAHRXLCZ-UHFFFAOYSA-N
MW456.62 g/mol
LogP5.83
Rot. Bonds6

About N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide

N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110503327) has the molecular formula C27H28N4OS and a molecular weight of 456.62 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110503327
Molecular FormulaC27H28N4OS
Molecular Weight456.62 g/mol
Exact Mass456.20
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)sc2ccccc12
InChIInChI=1S/C27H28N4OS/c1-2-8-23-22-11-6-7-12-24(22)33-26(23)27(32)29-20-13-14-25(28-19-20)31-17-15-30(16-18-31)21-9-4-3-5-10-21/h3-7,9-14,19H,2,8,15-18H2,1H3,(H,29,32)
InChIKeyNTSHXZPAHRXLCZ-UHFFFAOYSA-N
XLogP5.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.62
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 46426974
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-propylthiophene-2-carboxamide
CID 24592299
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110497075
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503331
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
1-(3-propyl-1-benzothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 110498505
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110503305
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80638888
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
CID 147102634

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide (CID 110503327) is N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)sc2ccccc12.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is NTSHXZPAHRXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4OS/c1-2-8-23-22-11-6-7-12-24(22)33-26(23)27(32)29-20-13-14-25(28-19-20)31-17-15-30(16-18-31)21-9-4-3-5-10-21/h3-7,9-14,19H,2,8,15-18H2,1H3,(H,29,32).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide?
N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 456.62 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).