(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

C27H24N4O3S — CID 159959235

IUPAC(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CCc1ccc2nsnc2c1
InChIInChI=1S/C27H24N4O3S/c1-28-26(32)24-14-21-19(13-18-4-2-3-5-20(18)21)15-31(24)27(33)25-17(10-11-34-25)8-6-16-7-9-22-23(12-16)30-35-29-22/h2-5,7,9-12,24H,6,8,13-15H2,1H3,(H,28,32)/t24-/m1/s1
InChIKeyRYSVPOMXEANVAO-XMMPIXPASA-N
MW484.58 g/mol
LogP4.04
Rot. Bonds5

About (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (PubChem CID 159959235) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
PubChem CID159959235
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC Name(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CCc1ccc2nsnc2c1
InChIInChI=1S/C27H24N4O3S/c1-28-26(32)24-14-21-19(13-18-4-2-3-5-20(18)21)15-31(24)27(33)25-17(10-11-34-25)8-6-16-7-9-22-23(12-16)30-35-29-22/h2-5,7,9-12,24H,6,8,13-15H2,1H3,(H,28,32)/t24-/m1/s1
InChIKeyRYSVPOMXEANVAO-XMMPIXPASA-N
XLogP4.04
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 158765559
(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide
CID 161148408
2-[3-[(2,1,3-benzothiadiazol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 78133142
(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 158254292
(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 158614097
(3S)-2-[3-(1H-indol-5-yl)propanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 138002348
(3R)-2-[3-[(7,7a-dihydro-3H-benzimidazol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 134315968
(3R)-N,1-dimethyl-2-[3-[(quinoxalin-6-ylamino)methyl]furan-2-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 71656256
(3S)-N-methyl-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 166400695
(3S)-2-(3-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057606
N-methyl-2-(4-propylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17486821
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (CID 159959235) is (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CCc1ccc2nsnc2c1.
What is the InChIKey of (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The InChIKey is RYSVPOMXEANVAO-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-28-26(32)24-14-21-19(13-18-4-2-3-5-20(18)21)15-31(24)27(33)25-17(10-11-34-25)8-6-16-7-9-22-23(12-16)30-35-29-22/h2-5,7,9-12,24H,6,8,13-15H2,1H3,(H,28,32)/t24-/m1/s1.
What are the key properties of (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is sourced from PubChem (CID 159959235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).