3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide

C16H17ClN4O4S — CID 4846215

IUPAC3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
SMILESNC(=O)NC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O4S/c17-13-7-2-1-6-12(13)14(21-16(18)23)9-15(22)20-10-4-3-5-11(8-10)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25)
InChIKeyDBYNOQLIXUKHCM-UHFFFAOYSA-N
MW396.86 g/mol
LogP1.73
Rot. Bonds6

About 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide

3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 4846215) has the molecular formula C16H17ClN4O4S and a molecular weight of 396.86 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID4846215
Molecular FormulaC16H17ClN4O4S
Molecular Weight396.86 g/mol
Exact Mass396.07
IUPAC Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
SMILESNC(=O)NC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O4S/c17-13-7-2-1-6-12(13)14(21-16(18)23)9-15(22)20-10-4-3-5-11(8-10)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25)
InChIKeyDBYNOQLIXUKHCM-UHFFFAOYSA-N
XLogP1.73
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 8008810
3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
CID 119032493
[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757929
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
[(1S)-3-(2-chloro-4-sulfamoylanilino)-1-(2,3-dichlorophenyl)-3-oxopropyl]carbamothioic S-acid
CID 87892755
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 41014952
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide
CID 30287276
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide (CID 4846215) is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide is NC(=O)NC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Cl.
What is the InChIKey of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is DBYNOQLIXUKHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4S/c17-13-7-2-1-6-12(13)14(21-16(18)23)9-15(22)20-10-4-3-5-11(8-10)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25).
What are the key properties of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide?
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 396.86 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4846215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).