5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide

C20H20BrN3O5S — CID 46566663

IUPAC5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20BrN3O5S/c1-28-18-5-3-15(12-19(18)30(26,27)24-6-8-29-9-7-24)22-20(25)17-11-13-10-14(21)2-4-16(13)23-17/h2-5,10-12,23H,6-9H2,1H3,(H,22,25)
InChIKeyNALJNQWNNCENLK-UHFFFAOYSA-N
MW494.37 g/mol
LogP3.21
Rot. Bonds5

About 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide

5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide (PubChem CID 46566663) has the molecular formula C20H20BrN3O5S and a molecular weight of 494.37 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
PubChem CID46566663
Molecular FormulaC20H20BrN3O5S
Molecular Weight494.37 g/mol
Exact Mass493.03
IUPAC Name5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20BrN3O5S/c1-28-18-5-3-15(12-19(18)30(26,27)24-6-8-29-9-7-24)22-20(25)17-11-13-10-14(21)2-4-16(13)23-17/h2-5,10-12,23H,6-9H2,1H3,(H,22,25)
InChIKeyNALJNQWNNCENLK-UHFFFAOYSA-N
XLogP3.21
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 30787552
6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 55556273
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
(E)-3-(5-bromothiophen-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26174381
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
CID 25438288
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide (CID 46566663) is 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The InChIKey is NALJNQWNNCENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O5S/c1-28-18-5-3-15(12-19(18)30(26,27)24-6-8-29-9-7-24)22-20(25)17-11-13-10-14(21)2-4-16(13)23-17/h2-5,10-12,23H,6-9H2,1H3,(H,22,25).
What are the key properties of 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide has a molecular weight of 494.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46566663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).