N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C23H26N4O2S3 — CID 57476068

IUPACN-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc2cc(-c3ncc(CN4CCCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N4O2S3/c1-2-27(32(28,29)21-10-7-13-30-21)20-9-6-8-17-14-19(25-22(17)20)23-24-15-18(31-23)16-26-11-4-3-5-12-26/h6-10,13-15,25H,2-5,11-12,16H2,1H3
InChIKeyYAPLWESHJDBVIZ-UHFFFAOYSA-N
MW486.69 g/mol
LogP5.55
Rot. Bonds7

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

N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 57476068) has the molecular formula C23H26N4O2S3 and a molecular weight of 486.69 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID57476068
Molecular FormulaC23H26N4O2S3
Molecular Weight486.69 g/mol
Exact Mass486.12
IUPAC NameN-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc2cc(-c3ncc(CN4CCCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N4O2S3/c1-2-27(32(28,29)21-10-7-13-30-21)20-9-6-8-17-14-19(25-22(17)20)23-24-15-18(31-23)16-26-11-4-3-5-12-26/h6-10,13-15,25H,2-5,11-12,16H2,1H3
InChIKeyYAPLWESHJDBVIZ-UHFFFAOYSA-N
XLogP5.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
2-Butylsulfinyl-4-phenyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 90051619
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 57476068) is N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CCN(c1cccc2cc(-c3ncc(CN4CCCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is YAPLWESHJDBVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S3/c1-2-27(32(28,29)21-10-7-13-30-21)20-9-6-8-17-14-19(25-22(17)20)23-24-15-18(31-23)16-26-11-4-3-5-12-26/h6-10,13-15,25H,2-5,11-12,16H2,1H3.
What are the key properties of N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 486.69 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 57476068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).