N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide

C15H23N3O3S — CID 119575326

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H23N3O3S/c1-9-6-11(7-13(10(9)2)22(17,20)21)14(19)18-15(3,8-16)12-4-5-12/h6-7,12H,4-5,8,16H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyWSNRWXQOJJZCAQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.81
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 119575326) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID119575326
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H23N3O3S/c1-9-6-11(7-13(10(9)2)22(17,20)21)14(19)18-15(3,8-16)12-4-5-12/h6-7,12H,4-5,8,16H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyWSNRWXQOJJZCAQ-UHFFFAOYSA-N
XLogP0.81
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 5344930
CID 1379044
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CID 984374
N-[2-(1-Benzoylpiperidin-4-YL)ethyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 53103878
AB-Mdmsba
CID 172872001
LON-WEI-b2874fec-5
CID 132359780
N-(cyclohexylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 40233954
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
CID 51097775
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
N-(cyclopropylmethyl)-N-methyl-7-sulfamoyl-2,3-dihydro-1H-indene-5-carboxamide
CID 72008509
N-(2-aminoethyl)-4-[[(3,5-ditert-butylphenyl)sulfonylamino]methyl]benzamide;hydrochloride
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CID 2538751

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 119575326) is N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)NC(C)(CN)C2CC2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is WSNRWXQOJJZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9-6-11(7-13(10(9)2)22(17,20)21)14(19)18-15(3,8-16)12-4-5-12/h6-7,12H,4-5,8,16H2,1-3H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 325.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 119575326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).