N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C19H23N3O4S2 — CID 156602034

IUPACN-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC3CC(NS(=O)(=O)c4cccs4)C2C3)cc1
InChIInChI=1S/C19H23N3O4S2/c1-26-15-6-4-13(5-7-15)11-20-19(23)22-12-14-9-16(17(22)10-14)21-28(24,25)18-3-2-8-27-18/h2-8,14,16-17,21H,9-12H2,1H3,(H,20,23)
InChIKeyAHVUXIIPLOFJIA-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.41
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156602034) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156602034
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC3CC(NS(=O)(=O)c4cccs4)C2C3)cc1
InChIInChI=1S/C19H23N3O4S2/c1-26-15-6-4-13(5-7-15)11-20-19(23)22-12-14-9-16(17(22)10-14)21-28(24,25)18-3-2-8-27-18/h2-8,14,16-17,21H,9-12H2,1H3,(H,20,23)
InChIKeyAHVUXIIPLOFJIA-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N,N-diethyl-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156609906
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
N-[(1S,4S,5S)-2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 87052937
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38011691
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156602034) is N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(CNC(=O)N2CC3CC(NS(=O)(=O)c4cccs4)C2C3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AHVUXIIPLOFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-26-15-6-4-13(5-7-15)11-20-19(23)22-12-14-9-16(17(22)10-14)21-28(24,25)18-3-2-8-27-18/h2-8,14,16-17,21H,9-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-(thiophen-2-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156602034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).