N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C17H22FNOS — CID 112818376

IUPACN-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)N(C1CCCC1)C1CC1
InChIInChI=1S/C17H22FNOS/c18-14-7-5-13(6-8-14)11-21-12-17(20)19(16-9-10-16)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2
InChIKeyMVJWKGMBWDCXLC-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.99
Rot. Bonds6

About N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 112818376) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID112818376
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC NameN-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)N(C1CCCC1)C1CC1
InChIInChI=1S/C17H22FNOS/c18-14-7-5-13(6-8-14)11-21-12-17(20)19(16-9-10-16)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2
InChIKeyMVJWKGMBWDCXLC-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132612351
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
2-[(2-benzylsulfanylacetyl)-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248848
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetic acid
CID 115569413
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 16547446
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132615935
(2R)-N-cyclohexyl-2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 100607459
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide
CID 112823744
2-[(4-fluorophenyl)methylsulfanyl]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775253
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 7571638
N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
CID 39083981

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 112818376) is N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(F)cc1)N(C1CCCC1)C1CC1.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is MVJWKGMBWDCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c18-14-7-5-13(6-8-14)11-21-12-17(20)19(16-9-10-16)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2.
What are the key properties of N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 307.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 112818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).