2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide

C18H21N3O5S — CID 2230013

IUPAC2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-26-12-11-19-17(22)13-7-3-5-9-15(13)20-18(23)14-8-4-6-10-16(14)21-27(2,24)25/h3-10,21H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJZVDZDWUSWQNOK-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.69
Rot. Bonds8

About 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide

2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 2230013) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID2230013
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-26-12-11-19-17(22)13-7-3-5-9-15(13)20-18(23)14-8-4-6-10-16(14)21-27(2,24)25/h3-10,21H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJZVDZDWUSWQNOK-UHFFFAOYSA-N
XLogP1.69
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-(methanesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 38573387
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide (CID 2230013) is 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is JZVDZDWUSWQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-26-12-11-19-17(22)13-7-3-5-9-15(13)20-18(23)14-8-4-6-10-16(14)21-27(2,24)25/h3-10,21H,11-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2230013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).