2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H21ClN4O3S — CID 30862513

IUPAC2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21ClN4O3S/c20-15-6-2-1-5-13(15)19(26)22-18-14-10-28-11-16(14)23-24(18)9-17(25)21-8-12-4-3-7-27-12/h1-2,5-6,12H,3-4,7-11H2,(H,21,25)(H,22,26)/t12-/m0/s1
InChIKeyVJTPWNSHTQWJQO-LBPRGKRZSA-N
MW420.92 g/mol
LogP2.83
Rot. Bonds6

About 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 30862513) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID30862513
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21ClN4O3S/c20-15-6-2-1-5-13(15)19(26)22-18-14-10-28-11-16(14)23-24(18)9-17(25)21-8-12-4-3-7-27-12/h1-2,5-6,12H,3-4,7-11H2,(H,21,25)(H,22,26)/t12-/m0/s1
InChIKeyVJTPWNSHTQWJQO-LBPRGKRZSA-N
XLogP2.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide with MolForge

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Related Compounds

5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 30862452
N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 30862500
2-(1,2-benzoxazol-3-yl)-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 51696585
2-(4-ethoxyphenyl)-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 30862540
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-chloro-N-[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7945026
2-chloro-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 1238917
N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CID 30862636
2-[(2-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3146542
2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862310
2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4577716
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 30862513) is 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NC[C@@H]1CCCO1.
What is the InChIKey of 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is VJTPWNSHTQWJQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c20-15-6-2-1-5-13(15)19(26)22-18-14-10-28-11-16(14)23-24(18)9-17(25)21-8-12-4-3-7-27-12/h1-2,5-6,12H,3-4,7-11H2,(H,21,25)(H,22,26)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 420.92 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 30862513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).