2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide

C20H22ClN3O4S — CID 143006205

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CO.O=C(NC1Cc2ccccc2C1)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C16H13ClN2OS.C4H9NO3/c17-14-8-11-7-13(19-16(11)21-14)15(20)18-12-5-9-3-1-2-4-10(9)6-12;1-5-4(8)3(7)2-6/h1-4,7-8,12,19H,5-6H2,(H,18,20);3,6-7H,2H2,1H3,(H,5,8)
InChIKeyZHMYQOJCXMVVQY-UHFFFAOYSA-N
MW435.93 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide

2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide (PubChem CID 143006205) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
PubChem CID143006205
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CO.O=C(NC1Cc2ccccc2C1)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C16H13ClN2OS.C4H9NO3/c17-14-8-11-7-13(19-16(11)21-14)15(20)18-12-5-9-3-1-2-4-10(9)6-12;1-5-4(8)3(7)2-6/h1-4,7-8,12,19H,5-6H2,(H,18,20);3,6-7H,2H2,1H3,(H,5,8)
InChIKeyZHMYQOJCXMVVQY-UHFFFAOYSA-N
XLogP1.87
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1R,2R)-1-[2,3-dihydroxypropanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58757495
2-chloro-N-[(1R,2R)-1-[(2-hydroxyacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10237504
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58717470
2-chloro-N-[(1S,2R)-1-(2,3-dihydroxypropylsulfonylmethyl)-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 69154103
2-[2-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 69153798
2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58757480
2-chloro-N-[4-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-3-oxo-2,4-dihydro-1H-naphthalen-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58816548
N-[(1S,2R)-1-(2-acetamidoethylsulfonylmethyl)-2,3-dihydro-1H-inden-2-yl]-2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 69153954
2-chloro-N-[(1S,2R)-1-(3-hydroxypropylsulfanylmethyl)-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 69154885
2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 11668873
tert-butyl 2-[[(1R,2R)-2-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetate
CID 59355902
2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58721826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide (CID 143006205) is 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide is CNC(=O)C(O)CO.O=C(NC1Cc2ccccc2C1)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide?
The InChIKey is ZHMYQOJCXMVVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS.C4H9NO3/c17-14-8-11-7-13(19-16(11)21-14)15(20)18-12-5-9-3-1-2-4-10(9)6-12;1-5-4(8)3(7)2-6/h1-4,7-8,12,19H,5-6H2,(H,18,20);3,6-7H,2H2,1H3,(H,5,8).
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide?
2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide has a molecular weight of 435.93 g/mol, XLogP of 1.87, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 143006205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).