2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide

C14H19Cl2N3O2S — CID 78772972

IUPAC2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O2S/c1-8(10-4-3-9(15)7-11(10)16)18-13(20)12(5-6-22-2)19-14(17)21/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyXPZXZLIEVDYETA-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.96
Rot. Bonds7

About 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 78772972) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID78772972
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O2S/c1-8(10-4-3-9(15)7-11(10)16)18-13(20)12(5-6-22-2)19-14(17)21/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyXPZXZLIEVDYETA-UHFFFAOYSA-N
XLogP2.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-[1-(2,4-dichlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55331402
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 55335702
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate
CID 8579696
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 2078416
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-(carbamoylamino)-4-methylsulfanyl-N-(1-thiophen-2-ylethyl)butanamide
CID 47098781
(2R)-2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2400618
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide (CID 78772972) is 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is XPZXZLIEVDYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2S/c1-8(10-4-3-9(15)7-11(10)16)18-13(20)12(5-6-22-2)19-14(17)21/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 364.30 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 78772972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).