N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide

C27H38N4O3S — CID 24979456

IUPACN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C27H38N4O3S/c1-3-29-16-18-30(19-17-29)26-13-12-24(35(33,34)31-14-8-5-9-15-31)21-25(26)28-27(32)20-22(2)23-10-6-4-7-11-23/h4,6-7,10-13,21-22H,3,5,8-9,14-20H2,1-2H3,(H,28,32)
InChIKeyJXBLPJGBROKOIX-UHFFFAOYSA-N
MW498.69 g/mol
LogP4.14
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide (PubChem CID 24979456) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
PubChem CID24979456
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C27H38N4O3S/c1-3-29-16-18-30(19-17-29)26-13-12-24(35(33,34)31-14-8-5-9-15-31)21-25(26)28-27(32)20-22(2)23-10-6-4-7-11-23/h4,6-7,10-13,21-22H,3,5,8-9,14-20H2,1-2H3,(H,28,32)
InChIKeyJXBLPJGBROKOIX-UHFFFAOYSA-N
XLogP4.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 25466236
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide
CID 24980516
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
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]cyclohexanecarboxamide
CID 17422008
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
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
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
CID 25337195
4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976
(E)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 24979598
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide (CID 24979456) is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CC(C)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide?
The InChIKey is JXBLPJGBROKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-3-29-16-18-30(19-17-29)26-13-12-24(35(33,34)31-14-8-5-9-15-31)21-25(26)28-27(32)20-22(2)23-10-6-4-7-11-23/h4,6-7,10-13,21-22H,3,5,8-9,14-20H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide?
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide has a molecular weight of 498.69 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide is sourced from PubChem (CID 24979456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).