N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide

C17H19N3O4S — CID 18151214

IUPACN-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H19N3O4S/c1-3-18-16(21)12-6-4-8-14(10-12)19-17(22)13-7-5-9-15(11-13)20-25(2,23)24/h4-11,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRDUWZLQRWIWTFY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide

N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide (PubChem CID 18151214) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
PubChem CID18151214
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H19N3O4S/c1-3-18-16(21)12-6-4-8-14(10-12)19-17(22)13-7-5-9-15(11-13)20-25(2,23)24/h4-11,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRDUWZLQRWIWTFY-UHFFFAOYSA-N
XLogP2.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167951994
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide (CID 18151214) is N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide?
The InChIKey is RDUWZLQRWIWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-18-16(21)12-6-4-8-14(10-12)19-17(22)13-7-5-9-15(11-13)20-25(2,23)24/h4-11,20H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide?
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide has a molecular weight of 361.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide is sourced from PubChem (CID 18151214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).