2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

C23H26N3O2S+ — CID 7095840

IUPAC2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCC(C)[NH+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C23H25N3O2S/c1-14(2)26-11-10-18-19(13-26)29-23(21(18)22(24)28)25-20(27)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14H,10-13H2,1-2H3,(H2,24,28)(H,25,27)/p+1
InChIKeyYOPVXFCMZXIXJV-UHFFFAOYSA-O
MW408.55 g/mol
LogP2.53
Rot. Bonds5

About 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide (PubChem CID 7095840) has the molecular formula C23H26N3O2S+ and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide.

Molecular Properties

Compound Name2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
PubChem CID7095840
Molecular FormulaC23H26N3O2S+
Molecular Weight408.55 g/mol
Exact Mass408.17
IUPAC Name2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCC(C)[NH+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C23H25N3O2S/c1-14(2)26-11-10-18-19(13-26)29-23(21(18)22(24)28)25-20(27)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14H,10-13H2,1-2H3,(H2,24,28)(H,25,27)/p+1
InChIKeyYOPVXFCMZXIXJV-UHFFFAOYSA-O
XLogP2.53
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide with MolForge

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Related Compounds

2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7096404
methyl 2-[(2,6-dimethoxybenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136011
6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7095809
N-butyl-2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7536904
ethyl 2-[(2-methylsulfanylbenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7565041
2-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9248432
2-[[2-(4-propan-2-ylphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41362422
2-[[2-(1H-indol-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 35280691
methyl 2-[(4-chlorobenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7135978
2-[(4-benzoylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7095772
2-[[2-(2-chlorophenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17431116
2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 5010635

Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The IUPAC name of 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide (CID 7095840) is 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide.
What is the SMILES notation for 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The canonical SMILES for 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide is CC(C)[NH+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1.
What is the InChIKey of 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The InChIKey is YOPVXFCMZXIXJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2S/c1-14(2)26-11-10-18-19(13-26)29-23(21(18)22(24)28)25-20(27)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14H,10-13H2,1-2H3,(H2,24,28)(H,25,27)/p+1.
What are the key properties of 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-1-ylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide is sourced from PubChem (CID 7095840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).