N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide

C20H23N3O4S — CID 139810320

IUPACN-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2[nH]c3ccc(NS(C)(=O)=O)cc3c2C)cc(C)c1O
InChIInChI=1S/C20H23N3O4S/c1-11-8-14(9-18(20(11)25)23(4)13(3)24)19-12(2)16-10-15(22-28(5,26)27)6-7-17(16)21-19/h6-10,21-22,25H,1-5H3
InChIKeyYOJLBYRTLKJBJV-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.51
Rot. Bonds4

About N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide

N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide (PubChem CID 139810320) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide
PubChem CID139810320
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2[nH]c3ccc(NS(C)(=O)=O)cc3c2C)cc(C)c1O
InChIInChI=1S/C20H23N3O4S/c1-11-8-14(9-18(20(11)25)23(4)13(3)24)19-12(2)16-10-15(22-28(5,26)27)6-7-17(16)21-19/h6-10,21-22,25H,1-5H3
InChIKeyYOJLBYRTLKJBJV-UHFFFAOYSA-N
XLogP3.51
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride
CID 139810334
2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide
CID 139794656
N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-phenylsulfanyl-1H-indol-5-yl]acetamide
CID 139794676
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
CID 71186806
N-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indol-5-yl]pyrrolidine-1-carboxamide
CID 59944552
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
CID 58960364
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
CID 118108334
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 11698821
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
CID 118941613

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide?
The IUPAC name of N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide (CID 139810320) is N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide?
The canonical SMILES for N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide is CC(=O)N(C)c1cc(-c2[nH]c3ccc(NS(C)(=O)=O)cc3c2C)cc(C)c1O.
What is the InChIKey of N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide?
The InChIKey is YOJLBYRTLKJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-11-8-14(9-18(20(11)25)23(4)13(3)24)19-12(2)16-10-15(22-28(5,26)27)6-7-17(16)21-19/h6-10,21-22,25H,1-5H3.
What are the key properties of N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide?
N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide has a molecular weight of 401.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide is sourced from PubChem (CID 139810320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).