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

C20H26N2O4S2 — CID 5322910

IUPACN-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-26-18-10-6-15(7-11-18)13-21-20(23)17-8-4-16(5-9-17)14-22-28(24,25)19-3-2-12-27-19/h2-3,6-7,10-12,16-17,22H,4-5,8-9,13-14H2,1H3,(H,21,23)
InChIKeyQRFDNWGOSQIECS-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.16
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5322910) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5322910
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-26-18-10-6-15(7-11-18)13-21-20(23)17-8-4-16(5-9-17)14-22-28(24,25)19-3-2-12-27-19/h2-3,6-7,10-12,16-17,22H,4-5,8-9,13-14H2,1H3,(H,21,23)
InChIKeyQRFDNWGOSQIECS-UHFFFAOYSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 15989581
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 15995265
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430563
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430555
4-(benzenesulfonamidomethyl)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 68813828
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5322910) is N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is COc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is QRFDNWGOSQIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-26-18-10-6-15(7-11-18)13-21-20(23)17-8-4-16(5-9-17)14-22-28(24,25)19-3-2-12-27-19/h2-3,6-7,10-12,16-17,22H,4-5,8-9,13-14H2,1H3,(H,21,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5322910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).