2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide

C18H19ClN2O2S — CID 8949001

IUPAC2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
SMILESC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2S/c1-12-13-8-11-24-16(13)7-10-21(12)17(22)6-9-20-18(23)14-4-2-3-5-15(14)19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyZNVRFVJJUSDUAO-LBPRGKRZSA-N
MW362.88 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide

2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide (PubChem CID 8949001) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
PubChem CID8949001
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
SMILESC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2S/c1-12-13-8-11-24-16(13)7-10-21(12)17(22)6-9-20-18(23)14-4-2-3-5-15(14)19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyZNVRFVJJUSDUAO-LBPRGKRZSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949400
2,2-dimethyl-N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]propanamide
CID 71943214
2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
CID 24504561
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 6925831
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
3-(furan-2-yl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 94463277
4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
CID 7188888
2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949494
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55010144
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide (CID 8949001) is 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide is C[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide?
The InChIKey is ZNVRFVJJUSDUAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-13-8-11-24-16(13)7-10-21(12)17(22)6-9-20-18(23)14-4-2-3-5-15(14)19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide has a molecular weight of 362.88 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 8949001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).