N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide

C15H22N2O3S — CID 30906636

IUPACN-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCC)c1
InChIInChI=1S/C15H22N2O3S/c1-4-7-12(3)17-15(18)13-8-6-9-14(11-13)21(19,20)16-10-5-2/h5-6,8-9,11-12,16H,2,4,7,10H2,1,3H3,(H,17,18)/t12-/m1/s1
InChIKeyBKYXNMXRJJMKSS-GFCCVEGCSA-N
MW310.42 g/mol
LogP2.07
Rot. Bonds8

About N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide

N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 30906636) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID30906636
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCC)c1
InChIInChI=1S/C15H22N2O3S/c1-4-7-12(3)17-15(18)13-8-6-9-14(11-13)21(19,20)16-10-5-2/h5-6,8-9,11-12,16H,2,4,7,10H2,1,3H3,(H,17,18)/t12-/m1/s1
InChIKeyBKYXNMXRJJMKSS-GFCCVEGCSA-N
XLogP2.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
[(1R)-1-cyanoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973838
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987349

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide (CID 30906636) is N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCC)c1.
What is the InChIKey of N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is BKYXNMXRJJMKSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-7-12(3)17-15(18)13-8-6-9-14(11-13)21(19,20)16-10-5-2/h5-6,8-9,11-12,16H,2,4,7,10H2,1,3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 30906636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).