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1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

C24H25ClN4O4S2 — CID 151355514

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C2(CCN(C(C)=O)C2)CN3c2ncc(Cl)s2)cc1
InChIInChI=1S/C24H25ClN4O4S2/c1-16(30)28-10-9-24(14-28)15-29(23-26-13-22(25)34-23)21-8-7-19(11-20(21)24)35(31,32)27-12-17-3-5-18(33-2)6-4-17/h3-8,11,13,27H,9-10,12,14-15H2,1-2H3
InChIKeyONJSKJNOQJIEFB-UHFFFAOYSA-N
MW533.08 g/mol
LogP3.93
Rot. Bonds6

About 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 151355514) has the molecular formula C24H25ClN4O4S2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

Compound Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
PubChem CID151355514
Molecular FormulaC24H25ClN4O4S2
Molecular Weight533.08 g/mol
Exact Mass532.10
IUPAC Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C2(CCN(C(C)=O)C2)CN3c2ncc(Cl)s2)cc1
InChIInChI=1S/C24H25ClN4O4S2/c1-16(30)28-10-9-24(14-28)15-29(23-26-13-22(25)34-23)21-8-7-19(11-20(21)24)35(31,32)27-12-17-3-5-18(33-2)6-4-17/h3-8,11,13,27H,9-10,12,14-15H2,1-2H3
InChIKeyONJSKJNOQJIEFB-UHFFFAOYSA-N
XLogP3.93
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.08
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 151355514) is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.
What is the SMILES notation for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The canonical SMILES for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc3c(c2)C2(CCN(C(C)=O)C2)CN3c2ncc(Cl)s2)cc1.
What is the InChIKey of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The InChIKey is ONJSKJNOQJIEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2/c1-16(30)28-10-9-24(14-28)15-29(23-26-13-22(25)34-23)21-8-7-19(11-20(21)24)35(31,32)27-12-17-3-5-18(33-2)6-4-17/h3-8,11,13,27H,9-10,12,14-15H2,1-2H3.
What are the key properties of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 533.08 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 151355514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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