2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide

C16H25ClN4O2S — CID 55349526

IUPAC2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H25ClN4O2S/c1-21(2)14(11-6-4-5-7-12(11)17)10-19-15(22)13(8-9-24-3)20-16(18)23/h4-7,13-14H,8-10H2,1-3H3,(H,19,22)(H3,18,20,23)
InChIKeyFTVPTQWUIVHYRI-UHFFFAOYSA-N
MW372.92 g/mol
LogP1.85
Rot. Bonds9

About 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide (PubChem CID 55349526) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide
PubChem CID55349526
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC Name2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H25ClN4O2S/c1-21(2)14(11-6-4-5-7-12(11)17)10-19-15(22)13(8-9-24-3)20-16(18)23/h4-7,13-14H,8-10H2,1-3H3,(H,19,22)(H3,18,20,23)
InChIKeyFTVPTQWUIVHYRI-UHFFFAOYSA-N
XLogP1.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)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

2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55802358
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
CID 82683429
(2R)-2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2400618
N-[1-(2-bromophenyl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 55335702
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 40799363
2,4-dichloro-N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55337142
(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315305
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 2078416
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
2-(carbamoylamino)-N-[1-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 78772972

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide (CID 55349526) is 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)N(C)C.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is FTVPTQWUIVHYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2S/c1-21(2)14(11-6-4-5-7-12(11)17)10-19-15(22)13(8-9-24-3)20-16(18)23/h4-7,13-14H,8-10H2,1-3H3,(H,19,22)(H3,18,20,23).
What are the key properties of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 372.92 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).