4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

C21H24N2O3S — CID 93327476

IUPAC4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(C)cc21
InChIInChI=1S/C21H24N2O3S/c1-14-10-17-20(27-14)11-18(21(24)22-12-16-7-5-9-26-16)23(17)13-15-6-3-4-8-19(15)25-2/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCTXQQBWKCJSQPD-INIZCTEOSA-N
MW384.50 g/mol
LogP3.98
Rot. Bonds6

About 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 93327476) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID93327476
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(C)cc21
InChIInChI=1S/C21H24N2O3S/c1-14-10-17-20(27-14)11-18(21(24)22-12-16-7-5-9-26-16)23(17)13-15-6-3-4-8-19(15)25-2/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCTXQQBWKCJSQPD-INIZCTEOSA-N
XLogP3.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848744
4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46156458
3-bromo-4-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040414
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083280
3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327610
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967
5-(2-methoxyphenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 75537750

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 93327476) is 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is COc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(C)cc21.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CTXQQBWKCJSQPD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-10-17-20(27-14)11-18(21(24)22-12-16-7-5-9-26-16)23(17)13-15-6-3-4-8-19(15)25-2/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93327476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).