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

C20H20ClN3O3S — CID 58757480

IUPAC2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESC[C@H](O)C(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c1-10(25)20(27)24(2)17-13-6-4-3-5-11(13)7-14(17)22-18(26)15-8-12-9-16(21)28-19(12)23-15/h3-6,8-10,14,17,23,25H,7H2,1-2H3,(H,22,26)/t10-,14+,17+/m0/s1
InChIKeyVBNNSFCRANFYKW-NCAQKEMTSA-N
MW417.92 g/mol
LogP3.12
Rot. Bonds4

About 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

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 (PubChem CID 58757480) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID58757480
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESC[C@H](O)C(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c1-10(25)20(27)24(2)17-13-6-4-3-5-11(13)7-14(17)22-18(26)15-8-12-9-16(21)28-19(12)23-15/h3-6,8-10,14,17,23,25H,7H2,1-2H3,(H,22,26)/t10-,14+,17+/m0/s1
InChIKeyVBNNSFCRANFYKW-NCAQKEMTSA-N
XLogP3.12
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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-[(2-hydroxyacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10237504
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
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
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-[(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-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
CID 143006205
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
2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 174426207

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](O)C(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 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?
The InChIKey is VBNNSFCRANFYKW-NCAQKEMTSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-10(25)20(27)24(2)17-13-6-4-3-5-11(13)7-14(17)22-18(26)15-8-12-9-16(21)28-19(12)23-15/h3-6,8-10,14,17,23,25H,7H2,1-2H3,(H,22,26)/t10-,14+,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 417.92 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58757480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).