2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide

C15H20N2OS — CID 63956825

IUPAC2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
SMILESCCN(CC1CC1)C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2OS/c1-2-17(10-12-3-4-12)14(18)9-11-5-7-13(8-6-11)15(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyXUOIWVNQWIVLFI-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.12
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide

2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide (PubChem CID 63956825) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
PubChem CID63956825
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
SMILESCCN(CC1CC1)C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2OS/c1-2-17(10-12-3-4-12)14(18)9-11-5-7-13(8-6-11)15(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyXUOIWVNQWIVLFI-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
2-(4-carbamothioylphenyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 63591239
N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
CID 63590160
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
CID 107030502
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
N-ethyl-2-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106629299

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide (CID 63956825) is 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide is CCN(CC1CC1)C(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide?
The InChIKey is XUOIWVNQWIVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-17(10-12-3-4-12)14(18)9-11-5-7-13(8-6-11)15(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide?
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide has a molecular weight of 276.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide is sourced from PubChem (CID 63956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).