(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide

C16H20ClF3N2O3S — CID 56834044

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClF3N2O3S/c17-12-4-6-13(7-5-12)26(24,25)22(10-11-2-1-3-11)14(15(21)23)8-9-16(18,19)20/h4-7,11,14H,1-3,8-10H2,(H2,21,23)/t14-/m1/s1
InChIKeyGXWRGDCHUYWDPZ-CQSZACIVSA-N
MW412.86 g/mol
LogP3.33
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide (PubChem CID 56834044) has the molecular formula C16H20ClF3N2O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide
PubChem CID56834044
Molecular FormulaC16H20ClF3N2O3S
Molecular Weight412.86 g/mol
Exact Mass412.08
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClF3N2O3S/c17-12-4-6-13(7-5-12)26(24,25)22(10-11-2-1-3-11)14(15(21)23)8-9-16(18,19)20/h4-7,11,14H,1-3,8-10H2,(H2,21,23)/t14-/m1/s1
InChIKeyGXWRGDCHUYWDPZ-CQSZACIVSA-N
XLogP3.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide (CID 56834044) is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide?
The InChIKey is GXWRGDCHUYWDPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClF3N2O3S/c17-12-4-6-13(7-5-12)26(24,25)22(10-11-2-1-3-11)14(15(21)23)8-9-16(18,19)20/h4-7,11,14H,1-3,8-10H2,(H2,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide has a molecular weight of 412.86 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56834044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).