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

C14H20BrN3O2S — CID 55335702

IUPACN-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C14H20BrN3O2S/c1-9(10-5-3-4-6-11(10)15)17-13(19)12(7-8-21-2)18-14(16)20/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyDJCYNJVDSIOLPB-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.42
Rot. Bonds7

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

N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide (PubChem CID 55335702) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
PubChem CID55335702
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C14H20BrN3O2S/c1-9(10-5-3-4-6-11(10)15)17-13(19)12(7-8-21-2)18-14(16)20/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyDJCYNJVDSIOLPB-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-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

2-(carbamoylamino)-4-methylsulfanyl-N-(1-thiophen-2-ylethyl)butanamide
CID 47098781
2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 78772972
N-[1-(1-benzofuran-2-yl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 78811549
(2R)-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94521564
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
2-bromo-N-[1-(1-hydroxypropan-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 78857059
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide (CID 55335702) is N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The InChIKey is DJCYNJVDSIOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c1-9(10-5-3-4-6-11(10)15)17-13(19)12(7-8-21-2)18-14(16)20/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide?
N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide has a molecular weight of 374.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide is sourced from PubChem (CID 55335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).