N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide

C16H16ClN3O2S — CID 36823003

IUPACN-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O2S/c17-13-6-1-2-7-14(13)23-9-8-15(21)19-11-4-3-5-12(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyUFVKBOBGNAZLNL-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.95
Rot. Bonds6

About N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide

N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide (PubChem CID 36823003) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
PubChem CID36823003
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O2S/c17-13-6-1-2-7-14(13)23-9-8-15(21)19-11-4-3-5-12(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyUFVKBOBGNAZLNL-UHFFFAOYSA-N
XLogP3.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452
methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
[2-(3-cyanoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2453296
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide (CID 36823003) is N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide is NC(=O)Nc1cccc(NC(=O)CCSc2ccccc2Cl)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide?
The InChIKey is UFVKBOBGNAZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-13-6-1-2-7-14(13)23-9-8-15(21)19-11-4-3-5-12(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22).
What are the key properties of N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide?
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide has a molecular weight of 349.84 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 36823003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).