N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide

C23H20N2O4S2 — CID 59691901

IUPACN-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide
SMILESCOc1cccc(C(=O)c2sc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c1
InChIInChI=1S/C23H20N2O4S2/c1-29-18-8-4-6-16(12-18)22(26)23-21(24)19-10-9-15(13-20(19)30-23)14-5-3-7-17(11-14)25-31(2,27)28/h3-13,25H,24H2,1-2H3
InChIKeyOGRQWPAUXFBGAH-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide

N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide (PubChem CID 59691901) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide
PubChem CID59691901
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC NameN-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide
SMILESCOc1cccc(C(=O)c2sc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c1
InChIInChI=1S/C23H20N2O4S2/c1-29-18-8-4-6-16(12-18)22(26)23-21(24)19-10-9-15(13-20(19)30-23)14-5-3-7-17(11-14)25-31(2,27)28/h3-13,25H,24H2,1-2H3
InChIKeyOGRQWPAUXFBGAH-UHFFFAOYSA-N
XLogP4.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68511610
[3-amino-5-(4-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(3-methoxyphenyl)methanone
CID 46350821
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
CID 68525317
methane;methanesulfonyl chloride;3-methoxyaniline;N-(3-methoxyphenyl)methanesulfonamide
CID 159081432
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide (CID 59691901) is N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide is COc1cccc(C(=O)c2sc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c1.
What is the InChIKey of N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide?
The InChIKey is OGRQWPAUXFBGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-29-18-8-4-6-16(12-18)22(26)23-21(24)19-10-9-15(13-20(19)30-23)14-5-3-7-17(11-14)25-31(2,27)28/h3-13,25H,24H2,1-2H3.
What are the key properties of N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide?
N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide has a molecular weight of 452.56 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59691901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).