2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide

C14H23N3O3S — CID 43606850

IUPAC2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(C)C)cc1C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)16-7-4-8-17-21(19,20)12-6-5-11(3)13(9-12)14(15)18/h5-6,9-10,16-17H,4,7-8H2,1-3H3,(H2,15,18)
InChIKeyAWYOSEPGPZBRCF-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.76
Rot. Bonds8

About 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide

2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide (PubChem CID 43606850) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
PubChem CID43606850
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(C)C)cc1C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)16-7-4-8-17-21(19,20)12-6-5-11(3)13(9-12)14(15)18/h5-6,9-10,16-17H,4,7-8H2,1-3H3,(H2,15,18)
InChIKeyAWYOSEPGPZBRCF-UHFFFAOYSA-N
XLogP0.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide (CID 43606850) is 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide is Cc1ccc(S(=O)(=O)NCCCNC(C)C)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide?
The InChIKey is AWYOSEPGPZBRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)16-7-4-8-17-21(19,20)12-6-5-11(3)13(9-12)14(15)18/h5-6,9-10,16-17H,4,7-8H2,1-3H3,(H2,15,18).
What are the key properties of 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide?
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide is sourced from PubChem (CID 43606850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).