N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C19H24N2O4S2 — CID 5322906

IUPACN-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H24N2O4S2/c1-25-17-5-2-4-16(12-17)21-19(22)15-9-7-14(8-10-15)13-20-27(23,24)18-6-3-11-26-18/h2-6,11-12,14-15,20H,7-10,13H2,1H3,(H,21,22)
InChIKeyCNTMSVNRNJZZMR-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.48
Rot. Bonds7

About N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5322906) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5322906
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H24N2O4S2/c1-25-17-5-2-4-16(12-17)21-19(22)15-9-7-14(8-10-15)13-20-27(23,24)18-6-3-11-26-18/h2-6,11-12,14-15,20H,7-10,13H2,1H3,(H,21,22)
InChIKeyCNTMSVNRNJZZMR-UHFFFAOYSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5322906) is N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is COc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is CNTMSVNRNJZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-25-17-5-2-4-16(12-17)21-19(22)15-9-7-14(8-10-15)13-20-27(23,24)18-6-3-11-26-18/h2-6,11-12,14-15,20H,7-10,13H2,1H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5322906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).