2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

C22H25FN2O4S — CID 51936085

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-15(20-6-4-5-7-21(20)23)25(18-10-11-18)22(27)14-24(3)30(28,29)19-12-8-17(9-13-19)16(2)26/h4-9,12-13,15,18H,10-11,14H2,1-3H3/t15-/m1/s1
InChIKeyKHRSFRHHKZAFLD-OAHLLOKOSA-N
MW432.52 g/mol
LogP3.40
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide (PubChem CID 51936085) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
PubChem CID51936085
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-15(20-6-4-5-7-21(20)23)25(18-10-11-18)22(27)14-24(3)30(28,29)19-12-8-17(9-13-19)16(2)26/h4-9,12-13,15,18H,10-11,14H2,1-3H3/t15-/m1/s1
InChIKeyKHRSFRHHKZAFLD-OAHLLOKOSA-N
XLogP3.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 55865233
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42941451
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55533721
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
CID 55551169
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046952
(4-fluorophenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650509
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide (CID 51936085) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is KHRSFRHHKZAFLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-15(20-6-4-5-7-21(20)23)25(18-10-11-18)22(27)14-24(3)30(28,29)19-12-8-17(9-13-19)16(2)26/h4-9,12-13,15,18H,10-11,14H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 51936085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).