N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide

C24H27N3O5S3 — CID 1435696

IUPACN-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C24H27N3O5S3/c28-24(25-20-8-3-1-4-9-20)19-27(18-21-10-7-17-33-21)35(31,32)23-13-11-22(12-14-23)34(29,30)26-15-5-2-6-16-26/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,25,28)
InChIKeyCYFORRICQUWZGG-UHFFFAOYSA-N
MW533.70 g/mol
LogP3.75
Rot. Bonds9

About N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide

N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 1435696) has the molecular formula C24H27N3O5S3 and a molecular weight of 533.70 g/mol. Its IUPAC name is N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID1435696
Molecular FormulaC24H27N3O5S3
Molecular Weight533.70 g/mol
Exact Mass533.11
IUPAC NameN-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C24H27N3O5S3/c28-24(25-20-8-3-1-4-9-20)19-27(18-21-10-7-17-33-21)35(31,32)23-13-11-22(12-14-23)34(29,30)26-15-5-2-6-16-26/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,25,28)
InChIKeyCYFORRICQUWZGG-UHFFFAOYSA-N
XLogP3.75
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.70
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(2-chloroacetyl)-N-(4-fluorophenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423205
4-(4-Methylsulfanyl-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 6494066
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
(2S)-4-(2-chloroacetyl)-N-phenyl-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423192
(2R)-4-(2-chloroacetyl)-N-phenyl-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423195
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
Thiophene-2-carboxylic acid [4-(4-phenyl-piperazine-1-sulfonyl)-phenyl]-amide
CID 2215718
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2526433

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide (CID 1435696) is N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is CYFORRICQUWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S3/c28-24(25-20-8-3-1-4-9-20)19-27(18-21-10-7-17-33-21)35(31,32)23-13-11-22(12-14-23)34(29,30)26-15-5-2-6-16-26/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,25,28).
What are the key properties of N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide?
N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 533.70 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 1435696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).