3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide

C16H23N3O4S — CID 51953527

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)N(C)C
InChIInChI=1S/C16H23N3O4S/c1-11(16(21)19(2)3)18-15(20)13-5-4-6-14(9-13)24(22,23)17-10-12-7-8-12/h4-6,9,11-12,17H,7-8,10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyWLNGEFVWWZBIEW-NSHDSACASA-N
MW353.44 g/mol
LogP0.58
Rot. Bonds7

About 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 51953527) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID51953527
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)N(C)C
InChIInChI=1S/C16H23N3O4S/c1-11(16(21)19(2)3)18-15(20)13-5-4-6-14(9-13)24(22,23)17-10-12-7-8-12/h4-6,9,11-12,17H,7-8,10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyWLNGEFVWWZBIEW-NSHDSACASA-N
XLogP0.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
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N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
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(E)-2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]hex-4-enoic acid
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N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42962136
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
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N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide (CID 51953527) is 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)N(C)C.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is WLNGEFVWWZBIEW-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11(16(21)19(2)3)18-15(20)13-5-4-6-14(9-13)24(22,23)17-10-12-7-8-12/h4-6,9,11-12,17H,7-8,10H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 51953527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).