N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide

C22H22ClN3O5S — CID 161190148

IUPACN-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(C2(NC(=O)c3cc4c(Cl)c(C)ccc4n3C)COC2)cc1
InChIInChI=1S/C22H22ClN3O5S/c1-13-4-9-18-17(20(13)23)10-19(26(18)3)21(28)24-22(11-31-12-22)15-5-7-16(8-6-15)32(29,30)25-14(2)27/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGVJMJHLACQAMMX-UHFFFAOYSA-N
MW475.95 g/mol
LogP2.62
Rot. Bonds5

About N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide

N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide (PubChem CID 161190148) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide
PubChem CID161190148
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC NameN-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(C2(NC(=O)c3cc4c(Cl)c(C)ccc4n3C)COC2)cc1
InChIInChI=1S/C22H22ClN3O5S/c1-13-4-9-18-17(20(13)23)10-19(26(18)3)21(28)24-22(11-31-12-22)15-5-7-16(8-6-15)32(29,30)25-14(2)27/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGVJMJHLACQAMMX-UHFFFAOYSA-N
XLogP2.62
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]propanoic acid
CID 130418134
2-cyclobutyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]acetic acid
CID 130418464
2-[4-[3-[(4-chloro-5-methoxy-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]butanoic acid
CID 130417859
2-[4-[3-[(4-chloro-5-methoxy-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]-5-hydroxypentanoic acid
CID 130417857
4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
CID 130418037
4,5-dichloro-N-[4-[4-(2-hydroxyacetyl)phenyl]oxan-4-yl]-1-methylindole-2-carboxamide
CID 170328674
2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
CID 130418235
2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]-3-fluorophenyl]-2-methylpropanoic acid
CID 130418122
4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide
CID 130407884
N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408286
ethyl 2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]-4-methoxybutanoate
CID 177063809
2-cyclopropyl-4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]benzoic acid
CID 130417915

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide (CID 161190148) is N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(C2(NC(=O)c3cc4c(Cl)c(C)ccc4n3C)COC2)cc1.
What is the InChIKey of N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide?
The InChIKey is GVJMJHLACQAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-13-4-9-18-17(20(13)23)10-19(26(18)3)21(28)24-22(11-31-12-22)15-5-7-16(8-6-15)32(29,30)25-14(2)27/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide?
N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 161190148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).