N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide

C22H26N4O4S2 — CID 33172344

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H26N4O4S2/c1-15(27)24-20(13-16-14-23-19-6-3-2-5-18(16)19)22(28)26-10-8-17(9-11-26)25-32(29,30)21-7-4-12-31-21/h2-7,12,14,17,20,23,25H,8-11,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyGNDKDOKHKQKHOU-FQEVSTJZSA-N
MW474.61 g/mol
LogP2.25
Rot. Bonds7

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide (PubChem CID 33172344) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide
PubChem CID33172344
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H26N4O4S2/c1-15(27)24-20(13-16-14-23-19-6-3-2-5-18(16)19)22(28)26-10-8-17(9-11-26)25-32(29,30)21-7-4-12-31-21/h2-7,12,14,17,20,23,25H,8-11,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyGNDKDOKHKQKHOU-FQEVSTJZSA-N
XLogP2.25
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
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CID 38393886
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
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(2S,4S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(furan-2-carbonyl)-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide
CID 7134310
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110286467
N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
CID 46440333
N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 37017427
N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 102561735

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide (CID 33172344) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is GNDKDOKHKQKHOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-15(27)24-20(13-16-14-23-19-6-3-2-5-18(16)19)22(28)26-10-8-17(9-11-26)25-32(29,30)21-7-4-12-31-21/h2-7,12,14,17,20,23,25H,8-11,13H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 33172344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).