4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C19H24N2O3S2 — CID 6624440

IUPAC4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-14-17-5-4-12-25-17)16-10-8-15(9-11-16)13-21-26(23,24)18-6-2-1-3-7-18/h1-7,12,15-16,21H,8-11,13-14H2,(H,20,22)
InChIKeyBQTFYFHDGXXVMJ-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.15
Rot. Bonds7

About 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6624440) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6624440
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-14-17-5-4-12-25-17)16-10-8-15(9-11-16)13-21-26(23,24)18-6-2-1-3-7-18/h1-7,12,15-16,21H,8-11,13-14H2,(H,20,22)
InChIKeyBQTFYFHDGXXVMJ-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
4-(benzenesulfonamidomethyl)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 68813828
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 20968626
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 124651648

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 6624440) is 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BQTFYFHDGXXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c22-19(20-14-17-5-4-12-25-17)16-10-8-15(9-11-16)13-21-26(23,24)18-6-2-1-3-7-18/h1-7,12,15-16,21H,8-11,13-14H2,(H,20,22).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6624440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).