N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide

C22H28FN3O4S2 — CID 3207046

IUPACN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O4S2/c1-2-20(22(28)25-17-6-3-4-7-17)26(15-18-8-5-13-31-18)21(27)14-24-32(29,30)19-11-9-16(23)10-12-19/h5,8-13,17,20,24H,2-4,6-7,14-15H2,1H3,(H,25,28)
InChIKeySYVUQCUQCJLQTM-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.03
Rot. Bonds10

About N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide

N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide (PubChem CID 3207046) has the molecular formula C22H28FN3O4S2 and a molecular weight of 481.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
PubChem CID3207046
Molecular FormulaC22H28FN3O4S2
Molecular Weight481.62 g/mol
Exact Mass481.15
IUPAC NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O4S2/c1-2-20(22(28)25-17-6-3-4-7-17)26(15-18-8-5-13-31-18)21(27)14-24-32(29,30)19-11-9-16(23)10-12-19/h5,8-13,17,20,24H,2-4,6-7,14-15H2,1H3,(H,25,28)
InChIKeySYVUQCUQCJLQTM-UHFFFAOYSA-N
XLogP3.03
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6619218
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N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
N~1~-(thien-2-ylmethyl)-N~2~-(thien-2-ylsulfonyl)methioninamide
CID 3244465
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 4882031
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-(4-fluorobenzyl)-N'-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]ethanediamide
CID 16032166
[4-(3-fluorophenyl)sulfonylpiperazino]-[(2S)-1-(2-thenoyl)pyrrolidin-2-yl]methanone
CID 16284591
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 16325898
N1-(thiophen-2-ylmethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16829862
N1-benzyl-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829959
N1-(4-methylbenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829960

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide (CID 3207046) is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?
The InChIKey is SYVUQCUQCJLQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S2/c1-2-20(22(28)25-17-6-3-4-7-17)26(15-18-8-5-13-31-18)21(27)14-24-32(29,30)19-11-9-16(23)10-12-19/h5,8-13,17,20,24H,2-4,6-7,14-15H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?
N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide has a molecular weight of 481.62 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 3207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).