(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide

C18H18ClF2NOS — CID 7944876

IUPAC(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClF2NOS/c1-11(2)16(12-3-5-13(19)6-4-12)17(23)22-14-7-9-15(10-8-14)24-18(20)21/h3-11,16,18H,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyYQUVGJIIFUBVNE-INIZCTEOSA-N
MW369.86 g/mol
LogP6.03
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide (PubChem CID 7944876) has the molecular formula C18H18ClF2NOS and a molecular weight of 369.86 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
PubChem CID7944876
Molecular FormulaC18H18ClF2NOS
Molecular Weight369.86 g/mol
Exact Mass369.08
IUPAC Name(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClF2NOS/c1-11(2)16(12-3-5-13(19)6-4-12)17(23)22-14-7-9-15(10-8-14)24-18(20)21/h3-11,16,18H,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyYQUVGJIIFUBVNE-INIZCTEOSA-N
XLogP6.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.86
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
CID 9335413
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62851819
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860
4-[4-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496914
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide (CID 7944876) is (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide is CC(C)[C@H](C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide?
The InChIKey is YQUVGJIIFUBVNE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClF2NOS/c1-11(2)16(12-3-5-13(19)6-4-12)17(23)22-14-7-9-15(10-8-14)24-18(20)21/h3-11,16,18H,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide has a molecular weight of 369.86 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 7944876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).