2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C14H17F3N2OS — CID 60850132

IUPAC2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)21-12-7-5-11(6-8-12)19-13(20)9-18-10-3-1-2-4-10/h5-8,10,18H,1-4,9H2,(H,19,20)
InChIKeyATHSOXCJQVZCPY-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.77
Rot. Bonds5

About 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 60850132) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID60850132
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)21-12-7-5-11(6-8-12)19-13(20)9-18-10-3-1-2-4-10/h5-8,10,18H,1-4,9H2,(H,19,20)
InChIKeyATHSOXCJQVZCPY-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60843073
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54816270
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 60850132) is 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(CNC1CCCC1)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is ATHSOXCJQVZCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c15-14(16,17)21-12-7-5-11(6-8-12)19-13(20)9-18-10-3-1-2-4-10/h5-8,10,18H,1-4,9H2,(H,19,20).
What are the key properties of 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 318.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60850132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).