1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C19H23N3O2S — CID 3222702

IUPAC1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1
InChIInChI=1S/C19H23N3O2S/c23-17(20-14-16-10-7-13-25-16)19(11-5-2-6-12-19)22-18(24)21-15-8-3-1-4-9-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,20,23)(H2,21,22,24)
InChIKeyWSZSSWMJAZONJB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.89
Rot. Bonds5

About 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 3222702) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID3222702
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1
InChIInChI=1S/C19H23N3O2S/c23-17(20-14-16-10-7-13-25-16)19(11-5-2-6-12-19)22-18(24)21-15-8-3-1-4-9-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,20,23)(H2,21,22,24)
InChIKeyWSZSSWMJAZONJB-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 3222702) is 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1.
What is the InChIKey of 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is WSZSSWMJAZONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17(20-14-16-10-7-13-25-16)19(11-5-2-6-12-19)22-18(24)21-15-8-3-1-4-9-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,20,23)(H2,21,22,24).
What are the key properties of 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3222702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).