3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide

C19H23N3O2S — CID 42930634

IUPAC3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCSc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c20-19(24)22-17(15-8-3-1-4-9-15)14-18(23)21-12-7-13-25-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,21,23)(H3,20,22,24)
InChIKeyKOAHUOIGQHBWFK-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds9

About 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide

3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 42930634) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID42930634
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCSc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c20-19(24)22-17(15-8-3-1-4-9-15)14-18(23)21-12-7-13-25-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,21,23)(H3,20,22,24)
InChIKeyKOAHUOIGQHBWFK-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
3-(3-methylsulfanylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 63960087
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide (CID 42930634) is 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide is NC(=O)NC(CC(=O)NCCCSc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is KOAHUOIGQHBWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c20-19(24)22-17(15-8-3-1-4-9-15)14-18(23)21-12-7-13-25-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,21,23)(H3,20,22,24).
What are the key properties of 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide?
3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 357.48 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 42930634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).