N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide

C18H26N4O2S — CID 55577231

IUPACN-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC1CCCCC1NC(=S)NNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-13-8-6-7-11-15(13)19-18(25)21-20-16(23)12-22(2)17(24)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyFYYCEJVFWYTPQE-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide

N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 55577231) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID55577231
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC1CCCCC1NC(=S)NNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-13-8-6-7-11-15(13)19-18(25)21-20-16(23)12-22(2)17(24)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyFYYCEJVFWYTPQE-UHFFFAOYSA-N
XLogP1.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea
CID 11946423
1-(2-methylcyclohexyl)-3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiourea
CID 55501458
1-benzyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 7924746
1-(2-methylcyclohexyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]thiourea
CID 166187929
1-[[2-(2-fluorophenoxy)acetyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728397
1-[[2-(2-fluorophenoxy)acetyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 11932537
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8627557
1-[(2-hydroxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669519
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-[(2-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8657236

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide (CID 55577231) is N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide is CC1CCCCC1NC(=S)NNC(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is FYYCEJVFWYTPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-13-8-6-7-11-15(13)19-18(25)21-20-16(23)12-22(2)17(24)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,20,23)(H2,19,21,25).
What are the key properties of N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide?
N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 362.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55577231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).