1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C26H32N4O4S — CID 43059706

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)cc2)CC1
InChIInChI=1S/C26H32N4O4S/c1-2-28-12-14-29(15-13-28)35(33,34)24-10-7-22(8-11-24)27-26(32)21-17-25(31)30(18-21)23-9-6-19-4-3-5-20(19)16-23/h6-11,16,21H,2-5,12-15,17-18H2,1H3,(H,27,32)
InChIKeyAQHKKBCMLHGFRF-UHFFFAOYSA-N
MW496.63 g/mol
LogP2.49
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43059706) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43059706
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)cc2)CC1
InChIInChI=1S/C26H32N4O4S/c1-2-28-12-14-29(15-13-28)35(33,34)24-10-7-22(8-11-24)27-26(32)21-17-25(31)30(18-21)23-9-6-19-4-3-5-20(19)16-23/h6-11,16,21H,2-5,12-15,17-18H2,1H3,(H,27,32)
InChIKeyAQHKKBCMLHGFRF-UHFFFAOYSA-N
XLogP2.49
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 43053907
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 108804559
1-(3-chloro-4-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17225493

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 43059706) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)cc2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AQHKKBCMLHGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-2-28-12-14-29(15-13-28)35(33,34)24-10-7-22(8-11-24)27-26(32)21-17-25(31)30(18-21)23-9-6-19-4-3-5-20(19)16-23/h6-11,16,21H,2-5,12-15,17-18H2,1H3,(H,27,32).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43059706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).