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

C17H26N2O3S2 — CID 4075418

IUPACN-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O3S2/c20-17(19-15-4-1-2-5-15)14-9-7-13(8-10-14)12-18-24(21,22)16-6-3-11-23-16/h3,6,11,13-15,18H,1-2,4-5,7-10,12H2,(H,19,20)
InChIKeyNOTMGBJUIXCXDC-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.89
Rot. Bonds6

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

N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 4075418) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID4075418
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O3S2/c20-17(19-15-4-1-2-5-15)14-9-7-13(8-10-14)12-18-24(21,22)16-6-3-11-23-16/h3,6,11,13-15,18H,1-2,4-5,7-10,12H2,(H,19,20)
InChIKeyNOTMGBJUIXCXDC-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3243927
N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
N-isopropyl-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 3239956
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 72125574
N-cycloheptyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3245510
N-{[4-(piperidin-1-ylcarbonyl)cyclohexyl]methyl}thiophene-2-sulfonamide
CID 3245683
4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide
CID 3284790
N-(cyclohexylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 4788112
thien-2-ylsulfonyl-Cha-Ala((S)-2-oxopyrrolidin-3-yl)-al
CID 137636414

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 4075418) is N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is NOTMGBJUIXCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c20-17(19-15-4-1-2-5-15)14-9-7-13(8-10-14)12-18-24(21,22)16-6-3-11-23-16/h3,6,11,13-15,18H,1-2,4-5,7-10,12H2,(H,19,20).
What are the key properties of N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4075418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).