N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

C12H17ClN2O3S — CID 96958726

IUPACN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H](C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyQERFKCPAEGYJPL-VIFPVBQESA-N
MW304.80 g/mol
LogP0.94
Rot. Bonds6

About N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (PubChem CID 96958726) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
PubChem CID96958726
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H](C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyQERFKCPAEGYJPL-VIFPVBQESA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 124838795
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950190
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950189
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (CID 96958726) is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The InChIKey is QERFKCPAEGYJPL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 96958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).