N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide

C20H25N3O2S — CID 23733080

IUPACN-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCCC1NC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(13-16-9-6-12-26-16)22-17-10-4-5-11-18(17)23-20(25)21-14-15-7-2-1-3-8-15/h1-3,6-9,12,17-18H,4-5,10-11,13-14H2,(H,22,24)(H2,21,23,25)
InChIKeyRWRWTCRMQXSEEA-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide

N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide (PubChem CID 23733080) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide
PubChem CID23733080
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCCC1NC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(13-16-9-6-12-26-16)22-17-10-4-5-11-18(17)23-20(25)21-14-15-7-2-1-3-8-15/h1-3,6-9,12,17-18H,4-5,10-11,13-14H2,(H,22,24)(H2,21,23,25)
InChIKeyRWRWTCRMQXSEEA-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(thiophen-2-ylmethyl)urea
CID 100836010
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide (CID 23733080) is N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCCCC1NC(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide?
The InChIKey is RWRWTCRMQXSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(13-16-9-6-12-26-16)22-17-10-4-5-11-18(17)23-20(25)21-14-15-7-2-1-3-8-15/h1-3,6-9,12,17-18H,4-5,10-11,13-14H2,(H,22,24)(H2,21,23,25).
What are the key properties of N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide?
N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide has a molecular weight of 371.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 23733080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).