4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

C20H25FN2O3S — CID 99132556

IUPAC4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15-10-12-17(13-11-15)16(2)22-20(24)9-6-14-23(27(3,25)26)19-8-5-4-7-18(19)21/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyZZXMVCHJECWBQH-MRXNPFEDSA-N
MW392.50 g/mol
LogP3.56
Rot. Bonds8

About 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 99132556) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID99132556
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15-10-12-17(13-11-15)16(2)22-20(24)9-6-14-23(27(3,25)26)19-8-5-4-7-18(19)21/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyZZXMVCHJECWBQH-MRXNPFEDSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132450
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 92685083
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43905455
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577
4-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131677
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53287837
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 99132564
4-(3-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131737
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902503
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (CID 99132556) is 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is ZZXMVCHJECWBQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15-10-12-17(13-11-15)16(2)22-20(24)9-6-14-23(27(3,25)26)19-8-5-4-7-18(19)21/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 99132556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).