N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide

C16H23N3OS — CID 43569178

IUPACN-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C(N)=S)N(C)C(C)C1CC1
InChIInChI=1S/C16H23N3OS/c1-10(12-8-9-12)19(3)11(2)16(20)18-14-7-5-4-6-13(14)15(17)21/h4-7,10-12H,8-9H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyMDXYFKAFIKYZFS-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds6

About N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide

N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide (PubChem CID 43569178) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
PubChem CID43569178
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C(N)=S)N(C)C(C)C1CC1
InChIInChI=1S/C16H23N3OS/c1-10(12-8-9-12)19(3)11(2)16(20)18-14-7-5-4-6-13(14)15(17)21/h4-7,10-12H,8-9H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyMDXYFKAFIKYZFS-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43128232
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
2-[(2-cyclopropyl-2-phenylacetyl)amino]benzamide
CID 110675339
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
N-(5-bromo-2-carbamothioylphenyl)-2-cyclopropylpropanamide
CID 114002601
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 43824852

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide (CID 43569178) is N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1C(N)=S)N(C)C(C)C1CC1.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide?
The InChIKey is MDXYFKAFIKYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(12-8-9-12)19(3)11(2)16(20)18-14-7-5-4-6-13(14)15(17)21/h4-7,10-12H,8-9H2,1-3H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide?
N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide is sourced from PubChem (CID 43569178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).