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

C23H26N4O2S3 — CID 57476087

IUPACN-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCC(C)N(c1cccc2cc(-c3ncc(CN4CCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N4O2S3/c1-16(2)27(32(28,29)21-9-6-12-30-21)20-8-5-7-17-13-19(25-22(17)20)23-24-14-18(31-23)15-26-10-3-4-11-26/h5-9,12-14,16,25H,3-4,10-11,15H2,1-2H3
InChIKeyGIPOOBAXZJPRHP-UHFFFAOYSA-N
MW486.69 g/mol
LogP5.55
Rot. Bonds7

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

N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 57476087) has the molecular formula C23H26N4O2S3 and a molecular weight of 486.69 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID57476087
Molecular FormulaC23H26N4O2S3
Molecular Weight486.69 g/mol
Exact Mass486.12
IUPAC NameN-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCC(C)N(c1cccc2cc(-c3ncc(CN4CCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N4O2S3/c1-16(2)27(32(28,29)21-9-6-12-30-21)20-8-5-7-17-13-19(25-22(17)20)23-24-14-18(31-23)15-26-10-3-4-11-26/h5-9,12-14,16,25H,3-4,10-11,15H2,1-2H3
InChIKeyGIPOOBAXZJPRHP-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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 57476087) is N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CC(C)N(c1cccc2cc(-c3ncc(CN4CCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is GIPOOBAXZJPRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S3/c1-16(2)27(32(28,29)21-9-6-12-30-21)20-8-5-7-17-13-19(25-22(17)20)23-24-14-18(31-23)15-26-10-3-4-11-26/h5-9,12-14,16,25H,3-4,10-11,15H2,1-2H3.
What are the key properties of N-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-propan-2-yl-N-[2-[5-(pyrrolidin-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-propan-2-yl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 57476087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).