(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide

C20H21N3O2S — CID 69487131

IUPAC(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NNC(=O)CCc1csc2ccccc12
InChIInChI=1S/C20H21N3O2S/c21-20(25)17(12-14-6-2-1-3-7-14)22-23-19(24)11-10-15-13-26-18-9-5-4-8-16(15)18/h1-9,13,17,22H,10-12H2,(H2,21,25)(H,23,24)/t17-/m1/s1
InChIKeyWCHVZHPKTNWXPU-QGZVFWFLSA-N
MW367.47 g/mol
LogP2.55
Rot. Bonds8

About (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide

(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide (PubChem CID 69487131) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide
PubChem CID69487131
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NNC(=O)CCc1csc2ccccc12
InChIInChI=1S/C20H21N3O2S/c21-20(25)17(12-14-6-2-1-3-7-14)22-23-19(24)11-10-15-13-26-18-9-5-4-8-16(15)18/h1-9,13,17,22H,10-12H2,(H2,21,25)(H,23,24)/t17-/m1/s1
InChIKeyWCHVZHPKTNWXPU-QGZVFWFLSA-N
XLogP2.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
2-(1-benzothiophen-3-ylamino)-3-phenylpropanoic acid
CID 174596084
3-(1-benzothiophen-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid
CID 160577341
2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide
CID 62698319
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 69486492
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide
CID 69486408
(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-4-methylpentanamide
CID 140518639
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
CID 94818763
[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[1-[(2-naphthalen-2-ylacetyl)amino]-2-phenylethyl]phosphinic acid
CID 11650705
3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propanoic acid
CID 23082921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide (CID 69487131) is (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NNC(=O)CCc1csc2ccccc12.
What is the InChIKey of (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide?
The InChIKey is WCHVZHPKTNWXPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-20(25)17(12-14-6-2-1-3-7-14)22-23-19(24)11-10-15-13-26-18-9-5-4-8-16(15)18/h1-9,13,17,22H,10-12H2,(H2,21,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide?
(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide is sourced from PubChem (CID 69487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).