N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide

C23H29N3O4S2 — CID 55438878

IUPACN-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29N3O4S2/c1-16(2)21(24-22(27)20-7-6-14-31-20)23(28)26-13-10-17-15-18(8-9-19(17)26)32(29,30)25-11-4-3-5-12-25/h6-9,14-16,21H,3-5,10-13H2,1-2H3,(H,24,27)
InChIKeyYWTLDGFMNAOCFI-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.27
Rot. Bonds6

About N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 55438878) has the molecular formula C23H29N3O4S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide
PubChem CID55438878
Molecular FormulaC23H29N3O4S2
Molecular Weight475.64 g/mol
Exact Mass475.16
IUPAC NameN-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29N3O4S2/c1-16(2)21(24-22(27)20-7-6-14-31-20)23(28)26-13-10-17-15-18(8-9-19(17)26)32(29,30)25-11-4-3-5-12-25/h6-9,14-16,21H,3-5,10-13H2,1-2H3,(H,24,27)
InChIKeyYWTLDGFMNAOCFI-UHFFFAOYSA-N
XLogP3.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide
CID 55607363
N-[(2S)-3-methyl-1-oxo-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 30832848
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 55556405
N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55869916
2-(4-methylphenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 18097873
N-[1-oxo-1-[2-(3-piperidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 55489674
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47008426
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 34410005
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 134030094
methyl 2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanylacetate
CID 24527163
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 18096105
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide (CID 55438878) is N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The InChIKey is YWTLDGFMNAOCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S2/c1-16(2)21(24-22(27)20-7-6-14-31-20)23(28)26-13-10-17-15-18(8-9-19(17)26)32(29,30)25-11-4-3-5-12-25/h6-9,14-16,21H,3-5,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55438878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).