N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide

C18H19N3O4S — CID 55585903

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O4S/c1-26(24,25)21-16-8-3-2-7-15(16)18(23)20-14-6-4-5-13(11-14)19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMDVVLMRVXPRVRX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.66
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide (PubChem CID 55585903) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
PubChem CID55585903
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O4S/c1-26(24,25)21-16-8-3-2-7-15(16)18(23)20-14-6-4-5-13(11-14)19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMDVVLMRVXPRVRX-UHFFFAOYSA-N
XLogP2.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
CID 43057660
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide (CID 55585903) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is MDVVLMRVXPRVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-26(24,25)21-16-8-3-2-7-15(16)18(23)20-14-6-4-5-13(11-14)19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 55585903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).