1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide

C24H27N5O3S3 — CID 57476070

IUPAC1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCN(c1cccc2cc(-c3ncc(CN4CCC(C(N)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H27N5O3S3/c1-2-29(35(31,32)21-7-4-12-33-21)20-6-3-5-17-13-19(27-22(17)20)24-26-14-18(34-24)15-28-10-8-16(9-11-28)23(25)30/h3-7,12-14,16,27H,2,8-11,15H2,1H3,(H2,25,30)
InChIKeyPWMFPAUILONWDT-UHFFFAOYSA-N
MW529.71 g/mol
LogP4.27
Rot. Bonds8

About 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide

1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 57476070) has the molecular formula C24H27N5O3S3 and a molecular weight of 529.71 g/mol. Its IUPAC name is 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID57476070
Molecular FormulaC24H27N5O3S3
Molecular Weight529.71 g/mol
Exact Mass529.13
IUPAC Name1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCN(c1cccc2cc(-c3ncc(CN4CCC(C(N)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H27N5O3S3/c1-2-29(35(31,32)21-7-4-12-33-21)20-6-3-5-17-13-19(27-22(17)20)24-26-14-18(34-24)15-28-10-8-16(9-11-28)23(25)30/h3-7,12-14,16,27H,2,8-11,15H2,1H3,(H2,25,30)
InChIKeyPWMFPAUILONWDT-UHFFFAOYSA-N
XLogP4.27
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.71
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (CID 57476070) is 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is CCN(c1cccc2cc(-c3ncc(CN4CCC(C(N)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is PWMFPAUILONWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S3/c1-2-29(35(31,32)21-7-4-12-33-21)20-6-3-5-17-13-19(27-22(17)20)24-26-14-18(34-24)15-28-10-8-16(9-11-28)23(25)30/h3-7,12-14,16,27H,2,8-11,15H2,1H3,(H2,25,30).
What are the key properties of 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 529.71 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 57476070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).