N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide

C14H21N3O2S — CID 62335182

IUPACN-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
SMILESCC(O)CN(C)CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H21N3O2S/c1-10(18)9-17(2)8-7-13(19)16-12-5-3-11(4-6-12)14(15)20/h3-6,10,18H,7-9H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyRHBFGEWCVSMAAZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.96
Rot. Bonds7

About N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide

N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide (PubChem CID 62335182) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
PubChem CID62335182
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
SMILESCC(O)CN(C)CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H21N3O2S/c1-10(18)9-17(2)8-7-13(19)16-12-5-3-11(4-6-12)14(15)20/h3-6,10,18H,7-9H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyRHBFGEWCVSMAAZ-UHFFFAOYSA-N
XLogP0.96
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569177
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
CID 60984633
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 62334447
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
4-[1-hydroxy-2-[methyl(3-methylbutyl)amino]ethyl]benzenecarbothioamide
CID 61429133
3-[2-(4-carbamothioylphenoxy)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106915714
N-(4-carbamothioylphenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295842
4-[[8-(4-carbamoylanilino)-8-oxooctyl]-methylamino]butanoic acid
CID 91585765

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide (CID 62335182) is N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide is CC(O)CN(C)CCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide?
The InChIKey is RHBFGEWCVSMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(18)9-17(2)8-7-13(19)16-12-5-3-11(4-6-12)14(15)20/h3-6,10,18H,7-9H2,1-2H3,(H2,15,20)(H,16,19).
What are the key properties of N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide?
N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide has a molecular weight of 295.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide is sourced from PubChem (CID 62335182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).