N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

C16H23N3OS — CID 43569177

IUPACN-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H23N3OS/c1-11(12-3-4-12)19(2)10-9-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKFKUOUZUIBWZTE-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds7

About N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (PubChem CID 43569177) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
PubChem CID43569177
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H23N3OS/c1-11(12-3-4-12)19(2)10-9-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKFKUOUZUIBWZTE-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335182
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
CID 60984633
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
CID 43568706
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
4-[3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanoylamino]benzamide
CID 124758919

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (CID 43569177) is N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is CC(C1CC1)N(C)CCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The InChIKey is KFKUOUZUIBWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11(12-3-4-12)19(2)10-9-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is sourced from PubChem (CID 43569177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).