7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide

C26H21ClN2O2S — CID 155698070

IUPAC7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cccc(Cl)c3)ccnc12
InChIInChI=1S/C26H21ClN2O2S/c1-15(2)22-23-24(18(10-12-28-23)16-6-5-7-17(27)14-16)32-25(22)26(30)29-20-11-13-31-21-9-4-3-8-19(20)21/h3-10,12,14,20H,1,11,13H2,2H3,(H,29,30)/t20-/m0/s1
InChIKeyAJNMWOXKSHPCTI-FQEVSTJZSA-N
MW460.99 g/mol
LogP6.90
Rot. Bonds4

About 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide

7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155698070) has the molecular formula C26H21ClN2O2S and a molecular weight of 460.99 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID155698070
Molecular FormulaC26H21ClN2O2S
Molecular Weight460.99 g/mol
Exact Mass460.10
IUPAC Name7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cccc(Cl)c3)ccnc12
InChIInChI=1S/C26H21ClN2O2S/c1-15(2)22-23-24(18(10-12-28-23)16-6-5-7-17(27)14-16)32-25(22)26(30)29-20-11-13-31-21-9-4-3-8-19(20)21/h3-10,12,14,20H,1,11,13H2,2H3,(H,29,30)/t20-/m0/s1
InChIKeyAJNMWOXKSHPCTI-FQEVSTJZSA-N
XLogP6.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.99
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-chloro-4-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155135571
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide
CID 155135421
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
CID 162493581
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138717
7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138476
7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155138176
7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138721
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 155125906

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155698070) is 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide is C=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cccc(Cl)c3)ccnc12.
What is the InChIKey of 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is AJNMWOXKSHPCTI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H21ClN2O2S/c1-15(2)22-23-24(18(10-12-28-23)16-6-5-7-17(27)14-16)32-25(22)26(30)29-20-11-13-31-21-9-4-3-8-19(20)21/h3-10,12,14,20H,1,11,13H2,2H3,(H,29,30)/t20-/m0/s1.
What are the key properties of 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155698070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).