5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide

C18H21ClN2O4S — CID 138007289

IUPAC5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide
SMILESCOCc1csc(C(=O)NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-24-9-11-8-15(26-10-11)18(23)21-13-4-2-12(3-5-13)20-17(22)14-6-7-16(19)25-14/h6-8,10,12-13H,2-5,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNAXFMICCYNGCPA-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.61
Rot. Bonds6

About 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide

5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide (PubChem CID 138007289) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide
PubChem CID138007289
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide
SMILESCOCc1csc(C(=O)NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-24-9-11-8-15(26-10-11)18(23)21-13-4-2-12(3-5-13)20-17(22)14-6-7-16(19)25-14/h6-8,10,12-13H,2-5,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNAXFMICCYNGCPA-UHFFFAOYSA-N
XLogP3.61
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide (CID 138007289) is 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide is COCc1csc(C(=O)NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)c1.
What is the InChIKey of 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide?
The InChIKey is NAXFMICCYNGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-24-9-11-8-15(26-10-11)18(23)21-13-4-2-12(3-5-13)20-17(22)14-6-7-16(19)25-14/h6-8,10,12-13H,2-5,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide?
5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 138007289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).