1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea

C16H23N3OS — CID 8000921

IUPAC1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3OS/c1-2-12-8-6-7-11-14(12)17-16(21)19-18-15(20)13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyLTFAMPFCHQHPFZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.15
Rot. Bonds3

About 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea

1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea (PubChem CID 8000921) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
PubChem CID8000921
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3OS/c1-2-12-8-6-7-11-14(12)17-16(21)19-18-15(20)13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyLTFAMPFCHQHPFZ-UHFFFAOYSA-N
XLogP3.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(cyclopropanecarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2730250
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8000945
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
CID 19654708
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea?
The IUPAC name of 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea (CID 8000921) is 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea is CCc1ccccc1NC(=S)NNC(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea?
The InChIKey is LTFAMPFCHQHPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-12-8-6-7-11-14(12)17-16(21)19-18-15(20)13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea?
1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea has a molecular weight of 305.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea is sourced from PubChem (CID 8000921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).