N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide

C23H30FN3O4S2 — CID 3207047

IUPACN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O4S2/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyVDCACOFIGMYNSF-UHFFFAOYSA-N
MW495.64 g/mol
LogP3.28
Rot. Bonds10

About N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide

N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide (PubChem CID 3207047) has the molecular formula C23H30FN3O4S2 and a molecular weight of 495.64 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide
PubChem CID3207047
Molecular FormulaC23H30FN3O4S2
Molecular Weight495.64 g/mol
Exact Mass495.17
IUPAC NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O4S2/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyVDCACOFIGMYNSF-UHFFFAOYSA-N
XLogP3.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3201979
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3206933
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202805
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
CID 3191151

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide (CID 3207047) is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide is CC(C)C(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]-3-methylbutanamide?
The InChIKey is VDCACOFIGMYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4S2/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide?
N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide has a molecular weight of 495.64 g/mol, XLogP of 3.28, 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]-3-methylbutanamide is sourced from PubChem (CID 3207047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).