N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C21H22N4O2S4 — CID 57476102

IUPACN-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN(c1cccc2cc(-c3ncc(CN4CCSCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N4O2S4/c1-24(31(26,27)19-6-3-9-29-19)18-5-2-4-15-12-17(23-20(15)18)21-22-13-16(30-21)14-25-7-10-28-11-8-25/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3
InChIKeyKNUFQFNUKAXZFF-UHFFFAOYSA-N
MW490.70 g/mol
LogP4.73
Rot. Bonds6

About N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 57476102) has the molecular formula C21H22N4O2S4 and a molecular weight of 490.70 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID57476102
Molecular FormulaC21H22N4O2S4
Molecular Weight490.70 g/mol
Exact Mass490.06
IUPAC NameN-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN(c1cccc2cc(-c3ncc(CN4CCSCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N4O2S4/c1-24(31(26,27)19-6-3-9-29-19)18-5-2-4-15-12-17(23-20(15)18)21-22-13-16(30-21)14-25-7-10-28-11-8-25/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3
InChIKeyKNUFQFNUKAXZFF-UHFFFAOYSA-N
XLogP4.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
2-Butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051948
N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 122635080
N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)ethanesulfonamide
CID 5310341
N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 5310576
5-ethyl-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 9550341
2-methyl-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006170
2-methyl-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006183
2-methyl-N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006203
N-(2-methyl-4-thiazolo[5,4-b]pyridin-2-yl-phenyl)thiophene-2-sulfonamide
CID 16187060
N-[3-(1-Benzothiazol-6-yl-1-ethyl-propyl)-1H-indol-7-yl]-methanesulfonamide
CID 58731243
N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194552

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 57476102) is N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CN(c1cccc2cc(-c3ncc(CN4CCSCC4)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is KNUFQFNUKAXZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S4/c1-24(31(26,27)19-6-3-9-29-19)18-5-2-4-15-12-17(23-20(15)18)21-22-13-16(30-21)14-25-7-10-28-11-8-25/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3.
What are the key properties of N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 490.70 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 57476102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).