N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

C21H27FN2O3S2 — CID 24537921

IUPACN-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCCCc1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O3S2/c1-3-4-7-16-10-12-17(13-11-16)23-21(25)19(14-15-28-2)24-29(26,27)20-9-6-5-8-18(20)22/h5-6,8-13,19,24H,3-4,7,14-15H2,1-2H3,(H,23,25)
InChIKeyAFJIAORCHNVEJR-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.21
Rot. Bonds11

About N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 24537921) has the molecular formula C21H27FN2O3S2 and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID24537921
Molecular FormulaC21H27FN2O3S2
Molecular Weight438.59 g/mol
Exact Mass438.14
IUPAC NameN-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCCCc1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O3S2/c1-3-4-7-16-10-12-17(13-11-16)23-21(25)19(14-15-28-2)24-29(26,27)20-9-6-5-8-18(20)22/h5-6,8-13,19,24H,3-4,7,14-15H2,1-2H3,(H,23,25)
InChIKeyAFJIAORCHNVEJR-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide
CID 55504531
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 26873336
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 55335123
2-[(2-fluorophenyl)sulfonylamino]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide
CID 55653859
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
CID 55689276
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
N-(4-butylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 42997971
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 42906188
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 24537921) is N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is CCCCc1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is AFJIAORCHNVEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S2/c1-3-4-7-16-10-12-17(13-11-16)23-21(25)19(14-15-28-2)24-29(26,27)20-9-6-5-8-18(20)22/h5-6,8-13,19,24H,3-4,7,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 438.59 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 24537921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).