N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide

C19H23N3O5S — CID 36655501

IUPACN-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-3-12-28(25,26)22-16-7-5-6-15(13-16)19(24)21-20-18(23)14-8-10-17(11-9-14)27-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCCJJOOWRIZHRTK-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.31
Rot. Bonds8

About N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide

N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide (PubChem CID 36655501) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
PubChem CID36655501
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-3-12-28(25,26)22-16-7-5-6-15(13-16)19(24)21-20-18(23)14-8-10-17(11-9-14)27-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCCJJOOWRIZHRTK-UHFFFAOYSA-N
XLogP2.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
N-phenylmethoxy-3-(propylsulfonylamino)benzamide
CID 32581421
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide (CID 36655501) is N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(OCC)cc2)c1.
What is the InChIKey of N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide?
The InChIKey is CCJJOOWRIZHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-12-28(25,26)22-16-7-5-6-15(13-16)19(24)21-20-18(23)14-8-10-17(11-9-14)27-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide?
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 36655501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).