(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

C22H29N3O3S2 — CID 41173582

IUPAC(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H29N3O3S2/c1-17(22(26)23-10-9-20-6-3-15-29-20)24-11-13-25(14-12-24)30(27,28)21-8-7-18-4-2-5-19(18)16-21/h3,6-8,15-17H,2,4-5,9-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyRAULGINVEJGPMM-KRWDZBQOSA-N
MW447.63 g/mol
LogP2.29
Rot. Bonds7

About (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 41173582) has the molecular formula C22H29N3O3S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID41173582
Molecular FormulaC22H29N3O3S2
Molecular Weight447.63 g/mol
Exact Mass447.17
IUPAC Name(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H29N3O3S2/c1-17(22(26)23-10-9-20-6-3-15-29-20)24-11-13-25(14-12-24)30(27,28)21-8-7-18-4-2-5-19(18)16-21/h3,6-8,15-17H,2,4-5,9-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyRAULGINVEJGPMM-KRWDZBQOSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-ethylpropanamide
CID 8599795
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 39983079
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 8622747
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9036914
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 25489352
(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethylpropanamide
CID 8599792
N-(cyclopentylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propanamide
CID 46650122
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 41173582) is (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is C[C@@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is RAULGINVEJGPMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N3O3S2/c1-17(22(26)23-10-9-20-6-3-15-29-20)24-11-13-25(14-12-24)30(27,28)21-8-7-18-4-2-5-19(18)16-21/h3,6-8,15-17H,2,4-5,9-14H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 447.63 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 41173582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).