2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide

C14H19Cl2N3O2S — CID 55802358

IUPAC2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O2S/c1-22-8-6-11(19-14(17)21)13(20)18-7-5-9-3-2-4-10(15)12(9)16/h2-4,11H,5-8H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyBGMAPYHCMGJQAY-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.44
Rot. Bonds8

About 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 55802358) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID55802358
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O2S/c1-22-8-6-11(19-14(17)21)13(20)18-7-5-9-3-2-4-10(15)12(9)16/h2-4,11H,5-8H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyBGMAPYHCMGJQAY-UHFFFAOYSA-N
XLogP2.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119296429
(2R)-2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2400618
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide
CID 55349526
2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 78772972
2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546065
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
CID 115703675
(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
CID 94200899
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 2078416
(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide
CID 94798216
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide (CID 55802358) is 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NCCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is BGMAPYHCMGJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2S/c1-22-8-6-11(19-14(17)21)13(20)18-7-5-9-3-2-4-10(15)12(9)16/h2-4,11H,5-8H2,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 364.30 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55802358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).