N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

C14H20N4O2S — CID 43374980

IUPACN-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)C(C)C(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N4O2S/c1-9(18(3)8-12(19)16-2)14(20)17-11-6-4-5-10(7-11)13(15)21/h4-7,9H,8H2,1-3H3,(H2,15,21)(H,16,19)(H,17,20)
InChIKeyLESHMUDREXZJIK-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.33
Rot. Bonds6

About N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43374980) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID43374980
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)C(C)C(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N4O2S/c1-9(18(3)8-12(19)16-2)14(20)17-11-6-4-5-10(7-11)13(15)21/h4-7,9H,8H2,1-3H3,(H2,15,21)(H,16,19)(H,17,20)
InChIKeyLESHMUDREXZJIK-UHFFFAOYSA-N
XLogP0.33
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide 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-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373924
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
N-(3-carbamothioylphenyl)-2-pentoxypropanamide
CID 43275158
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-(3-nitrophenyl)propanamide
CID 94150048
3-(2-aminopropanoylamino)benzamide
CID 61258270

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 43374980) is N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is CNC(=O)CN(C)C(C)C(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is LESHMUDREXZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(18(3)8-12(19)16-2)14(20)17-11-6-4-5-10(7-11)13(15)21/h4-7,9H,8H2,1-3H3,(H2,15,21)(H,16,19)(H,17,20).
What are the key properties of N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 308.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43374980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).