N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide

C22H28N2O3S — CID 55350913

IUPACN-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-12-24(15-18-9-10-18)22(25)21-14-20(11-8-17(21)3)28(26,27)23-19-7-5-6-16(2)13-19/h5-8,11,13-14,18,23H,4,9-10,12,15H2,1-3H3
InChIKeyFNKWIZYCPUUIRT-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.37
Rot. Bonds8

About N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide

N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 55350913) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
PubChem CID55350913
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-12-24(15-18-9-10-18)22(25)21-14-20(11-8-17(21)3)28(26,27)23-19-7-5-6-16(2)13-19/h5-8,11,13-14,18,23H,4,9-10,12,15H2,1-3H3
InChIKeyFNKWIZYCPUUIRT-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503283
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
N-(2-cyanoethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxan-4-yl)benzamide
CID 56572383
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
ethyl 1-[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 4096134
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 55583889
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 30768460

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide (CID 55350913) is N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is FNKWIZYCPUUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-12-24(15-18-9-10-18)22(25)21-14-20(11-8-17(21)3)28(26,27)23-19-7-5-6-16(2)13-19/h5-8,11,13-14,18,23H,4,9-10,12,15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide?
N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 55350913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).