1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C19H22FN3O2S — CID 3222701

IUPAC1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2cccs2)CCCCC1
InChIInChI=1S/C19H22FN3O2S/c20-14-6-8-15(9-7-14)22-18(25)23-19(10-2-1-3-11-19)17(24)21-13-16-5-4-12-26-16/h4-9,12H,1-3,10-11,13H2,(H,21,24)(H2,22,23,25)
InChIKeyJFNZJXXLMOXZIN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.03
Rot. Bonds5

About 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 3222701) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID3222701
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2cccs2)CCCCC1
InChIInChI=1S/C19H22FN3O2S/c20-14-6-8-15(9-7-14)22-18(25)23-19(10-2-1-3-11-19)17(24)21-13-16-5-4-12-26-16/h4-9,12H,1-3,10-11,13H2,(H,21,24)(H2,22,23,25)
InChIKeyJFNZJXXLMOXZIN-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 3222701) is 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2cccs2)CCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is JFNZJXXLMOXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-14-6-8-15(9-7-14)22-18(25)23-19(10-2-1-3-11-19)17(24)21-13-16-5-4-12-26-16/h4-9,12H,1-3,10-11,13H2,(H,21,24)(H2,22,23,25).
What are the key properties of 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)carbamoylamino]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3222701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).