N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide

C21H25N3O5S — CID 46467570

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O5S/c1-14-3-8-17(23-20(25)15-4-5-15)13-19(14)24-21(26)16-6-9-18(10-7-16)30(27,28)22-11-12-29-2/h3,6-10,13,15,22H,4-5,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKIADXULXIVNMGD-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.52
Rot. Bonds9

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 46467570) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID46467570
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O5S/c1-14-3-8-17(23-20(25)15-4-5-15)13-19(14)24-21(26)16-6-9-18(10-7-16)30(27,28)22-11-12-29-2/h3,6-10,13,15,22H,4-5,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKIADXULXIVNMGD-UHFFFAOYSA-N
XLogP2.52
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24625442
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55711548
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 46467570) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is KIADXULXIVNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14-3-8-17(23-20(25)15-4-5-15)13-19(14)24-21(26)16-6-9-18(10-7-16)30(27,28)22-11-12-29-2/h3,6-10,13,15,22H,4-5,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 46467570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).