5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide

C22H29ClN4O3S2 — CID 25337195

IUPAC5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C22H29ClN4O3S2/c1-2-25-12-14-26(15-13-25)19-7-6-17(32(29,30)27-10-4-3-5-11-27)16-18(19)24-22(28)20-8-9-21(23)31-20/h6-9,16H,2-5,10-15H2,1H3,(H,24,28)
InChIKeyMISXNQARUOJYRE-UHFFFAOYSA-N
MW497.09 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide

5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide (PubChem CID 25337195) has the molecular formula C22H29ClN4O3S2 and a molecular weight of 497.09 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
PubChem CID25337195
Molecular FormulaC22H29ClN4O3S2
Molecular Weight497.09 g/mol
Exact Mass496.14
IUPAC Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C22H29ClN4O3S2/c1-2-25-12-14-26(15-13-25)19-7-6-17(32(29,30)27-10-4-3-5-11-27)16-18(19)24-22(28)20-8-9-21(23)31-20/h6-9,16H,2-5,10-15H2,1H3,(H,24,28)
InChIKeyMISXNQARUOJYRE-UHFFFAOYSA-N
XLogP3.97
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.09
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-fluorobenzamide
CID 24979568
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(trifluoromethyl)benzamide
CID 24979965
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide
CID 24980516
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-(3-fluorophenyl)acetamide
CID 25332698
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 24979456
(E)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 24979598
4-acetamido-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26524447
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide (CID 25337195) is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is MISXNQARUOJYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3S2/c1-2-25-12-14-26(15-13-25)19-7-6-17(32(29,30)27-10-4-3-5-11-27)16-18(19)24-22(28)20-8-9-21(23)31-20/h6-9,16H,2-5,10-15H2,1H3,(H,24,28).
What are the key properties of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide?
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 497.09 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 25337195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).