2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide

C19H23N3O3S — CID 4781913

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26-12-11-17(22-19(20)24)18(23)21-15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24)
InChIKeyPEALNFUYMNSOMB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.99
Rot. Bonds9

About 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide

2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 4781913) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID4781913
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26-12-11-17(22-19(20)24)18(23)21-15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24)
InChIKeyPEALNFUYMNSOMB-UHFFFAOYSA-N
XLogP2.99
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
N-(4-ethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24638591
(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 40799363
tert-butyl N-[(2S)-1-[4-[(3-fluorophenyl)methoxy]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 69492394
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanamide
CID 71407994
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
(2R)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453759
(2S)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453760
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide (CID 4781913) is 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide is CSCCC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is PEALNFUYMNSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26-12-11-17(22-19(20)24)18(23)21-15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 373.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 4781913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).