N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

C25H31N3O2S3 — CID 70883582

IUPACN-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCC[C@@H]1CCCC1Cc1cnc(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)s1
InChIInChI=1S/C25H31N3O2S3/c1-3-7-17-8-4-9-18(17)14-20-16-26-25(32-20)21-15-19-10-5-11-22(24(19)27-21)28(2)33(29,30)23-12-6-13-31-23/h5-6,10-13,16-18,21,27H,3-4,7-9,14-15H2,1-2H3/t17-,18?,21?/m1/s1
InChIKeyMSFWUZCORVPIEM-MPQSDHOMSA-N
MW501.74 g/mol
LogP6.50
Rot. Bonds8

About N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70883582) has the molecular formula C25H31N3O2S3 and a molecular weight of 501.74 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID70883582
Molecular FormulaC25H31N3O2S3
Molecular Weight501.74 g/mol
Exact Mass501.16
IUPAC NameN-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCC[C@@H]1CCCC1Cc1cnc(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)s1
InChIInChI=1S/C25H31N3O2S3/c1-3-7-17-8-4-9-18(17)14-20-16-26-25(32-20)21-15-19-10-5-11-22(24(19)27-21)28(2)33(29,30)23-12-6-13-31-23/h5-6,10-13,16-18,21,27H,3-4,7-9,14-15H2,1-2H3/t17-,18?,21?/m1/s1
InChIKeyMSFWUZCORVPIEM-MPQSDHOMSA-N
XLogP6.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70883582) is N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CCC[C@@H]1CCCC1Cc1cnc(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)s1.
What is the InChIKey of N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is MSFWUZCORVPIEM-MPQSDHOMSA-N. The full InChI is InChI=1S/C25H31N3O2S3/c1-3-7-17-8-4-9-18(17)14-20-16-26-25(32-20)21-15-19-10-5-11-22(24(19)27-21)28(2)33(29,30)23-12-6-13-31-23/h5-6,10-13,16-18,21,27H,3-4,7-9,14-15H2,1-2H3/t17-,18?,21?/m1/s1.
What are the key properties of N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 501.74 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-[[(2R)-2-propylcyclopentyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70883582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).