N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

C19H22N2O3S2 — CID 156602290

IUPACN-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESCc1cccc(CC(=O)N2CC3CC2CC3NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H22N2O3S2/c1-13-4-2-5-14(8-13)9-18(22)21-12-15-10-16(21)11-17(15)20-26(23,24)19-6-3-7-25-19/h2-8,15-17,20H,9-12H2,1H3
InChIKeyNMVUGDCRMXRJEF-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (PubChem CID 156602290) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
PubChem CID156602290
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESCc1cccc(CC(=O)N2CC3CC2CC3NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H22N2O3S2/c1-13-4-2-5-14(8-13)9-18(22)21-12-15-10-16(21)11-17(15)20-26(23,24)19-6-3-7-25-19/h2-8,15-17,20H,9-12H2,1H3
InChIKeyNMVUGDCRMXRJEF-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 5308267
N-[2-(3-methylphenyl)ethyl]-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 4099122
1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45169614
1-phenyl-N-{[1-(2-thienylacetyl)-3-piperidinyl]methyl}methanesulfonamide
CID 45238313
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 156602259
CID 156602272
CID 156602272
N-[2-(3-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4290744
N-(2-phenylpropyl)-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 18092989
N-Cyclopentyl-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15999291
N-(3,3-diphenylpropyl)-2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)acetamide
CID 44015560
N-phenethyl-2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)acetamide
CID 44015564

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (CID 156602290) is N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is Cc1cccc(CC(=O)N2CC3CC2CC3NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The InChIKey is NMVUGDCRMXRJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-13-4-2-5-14(8-13)9-18(22)21-12-15-10-16(21)11-17(15)20-26(23,24)19-6-3-7-25-19/h2-8,15-17,20H,9-12H2,1H3.
What are the key properties of N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 156602290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).