N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide

C19H20N2O4S — CID 25275763

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-12-3-10-16(26(2,24)25)11-17(12)19(23)21-15-8-6-14(7-9-15)20-18(22)13-4-5-13/h3,6-11,13H,4-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJWSSLXHDWPUXTD-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.00
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide

N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 25275763) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID25275763
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-12-3-10-16(26(2,24)25)11-17(12)19(23)21-15-8-6-14(7-9-15)20-18(22)13-4-5-13/h3,6-11,13H,4-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJWSSLXHDWPUXTD-UHFFFAOYSA-N
XLogP3.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 166314943
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide (CID 25275763) is N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is JWSSLXHDWPUXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-3-10-16(26(2,24)25)11-17(12)19(23)21-15-8-6-14(7-9-15)20-18(22)13-4-5-13/h3,6-11,13H,4-5H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 372.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 25275763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).