N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

C21H23N3O4S — CID 24613986

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-13-2-11-18(29(27,28)24-17-9-10-17)12-19(13)21(26)23-16-7-5-15(6-8-16)22-20(25)14-3-4-14/h2,5-8,11-12,14,17,24H,3-4,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyAHYATGKKGPAVGE-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.04
Rot. Bonds7

About N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (PubChem CID 24613986) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
PubChem CID24613986
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-13-2-11-18(29(27,28)24-17-9-10-17)12-19(13)21(26)23-16-7-5-15(6-8-16)22-20(25)14-3-4-14/h2,5-8,11-12,14,17,24H,3-4,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyAHYATGKKGPAVGE-UHFFFAOYSA-N
XLogP3.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
CID 55731282
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (CID 24613986) is N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The InChIKey is AHYATGKKGPAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-2-11-18(29(27,28)24-17-9-10-17)12-19(13)21(26)23-16-7-5-15(6-8-16)22-20(25)14-3-4-14/h2,5-8,11-12,14,17,24H,3-4,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 24613986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).