2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C23H29N3O3S2 — CID 34410005

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN(Cc1cccs1)C1CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29N3O3S2/c27-23(17-24(19-6-7-19)16-20-5-4-14-30-20)26-13-10-18-15-21(8-9-22(18)26)31(28,29)25-11-2-1-3-12-25/h4-5,8-9,14-15,19H,1-3,6-7,10-13,16-17H2
InChIKeyLMIVUNZUXJPDRY-UHFFFAOYSA-N
MW459.64 g/mol
LogP3.48
Rot. Bonds7

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 34410005) has the molecular formula C23H29N3O3S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID34410005
Molecular FormulaC23H29N3O3S2
Molecular Weight459.64 g/mol
Exact Mass459.17
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN(Cc1cccs1)C1CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29N3O3S2/c27-23(17-24(19-6-7-19)16-20-5-4-14-30-20)26-13-10-18-15-21(8-9-22(18)26)31(28,29)25-11-2-1-3-12-25/h4-5,8-9,14-15,19H,1-3,6-7,10-13,16-17H2
InChIKeyLMIVUNZUXJPDRY-UHFFFAOYSA-N
XLogP3.48
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone with MolForge

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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
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 134030094
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 18096105
1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55759883
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 55556405
2-[ethyl(2-methylprop-2-enyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 78829310
2-(N-ethyl-3-fluoroanilino)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55868878
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53124741
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55845754
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
methyl 2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanylacetate
CID 24527163

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 34410005) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is O=C(CN(Cc1cccs1)C1CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is LMIVUNZUXJPDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S2/c27-23(17-24(19-6-7-19)16-20-5-4-14-30-20)26-13-10-18-15-21(8-9-22(18)26)31(28,29)25-11-2-1-3-12-25/h4-5,8-9,14-15,19H,1-3,6-7,10-13,16-17H2.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 459.64 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 34410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).