phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate

C18H20N2O3S — CID 177382618

IUPACphenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate
SMILESO=C(NC1(C(=O)Nc2ccsc2)CCCCC1)Oc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-16(19-14-9-12-24-13-14)18(10-5-2-6-11-18)20-17(22)23-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,19,21)(H,20,22)
InChIKeyIOPATSCQJHWEDB-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.18
Rot. Bonds4

About phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate

phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate (PubChem CID 177382618) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate
PubChem CID177382618
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namephenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate
SMILESO=C(NC1(C(=O)Nc2ccsc2)CCCCC1)Oc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-16(19-14-9-12-24-13-14)18(10-5-2-6-11-18)20-17(22)23-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,19,21)(H,20,22)
InChIKeyIOPATSCQJHWEDB-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate
CID 177382626
phenyl N-(1-methylcyclodecyl)carbamate
CID 130359275
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
1-amino-N-thiophen-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119326724
3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130643749
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
CID 170173348
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
phenyl N-(3-methyl-1,1-dioxothiolan-3-yl)carbamate
CID 3814672
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate?
The IUPAC name of phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate (CID 177382618) is phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate.
What is the SMILES notation for phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate?
The canonical SMILES for phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate is O=C(NC1(C(=O)Nc2ccsc2)CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate?
The InChIKey is IOPATSCQJHWEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-16(19-14-9-12-24-13-14)18(10-5-2-6-11-18)20-17(22)23-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,19,21)(H,20,22).
What are the key properties of phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate?
phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate has a molecular weight of 344.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate is sourced from PubChem (CID 177382618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).