7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide

C19H18BrN3O4S — CID 167873388

IUPAC7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3C(=O)N=S(C)(C)=O)cc12
InChIInChI=1S/C19H18BrN3O4S/c1-27-16-9-8-13(20)17-12(16)10-15(21-17)19(25)22-14-7-5-4-6-11(14)18(24)23-28(2,3)26/h4-10,21H,1-3H3,(H,22,25)
InChIKeyZRFZINNRVPBREM-UHFFFAOYSA-N
MW464.34 g/mol
LogP4.06
Rot. Bonds4

About 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide

7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 167873388) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID167873388
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC Name7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3C(=O)N=S(C)(C)=O)cc12
InChIInChI=1S/C19H18BrN3O4S/c1-27-16-9-8-13(20)17-12(16)10-15(21-17)19(25)22-14-7-5-4-6-11(14)18(24)23-28(2,3)26/h4-10,21H,1-3H3,(H,22,25)
InChIKeyZRFZINNRVPBREM-UHFFFAOYSA-N
XLogP4.06
TPSA100.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 166221366
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide (CID 167873388) is 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide is COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3C(=O)N=S(C)(C)=O)cc12.
What is the InChIKey of 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is ZRFZINNRVPBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c1-27-16-9-8-13(20)17-12(16)10-15(21-17)19(25)22-14-7-5-4-6-11(14)18(24)23-28(2,3)26/h4-10,21H,1-3H3,(H,22,25).
What are the key properties of 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide?
7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 464.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167873388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).