N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide

C23H25N3O2S — CID 17453541

IUPACN-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H25N3O2S/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyOLZLCNLQHKDPFI-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.01
Rot. Bonds9

About N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide

N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide (PubChem CID 17453541) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
PubChem CID17453541
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H25N3O2S/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyOLZLCNLQHKDPFI-UHFFFAOYSA-N
XLogP4.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17454524
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide
CID 55859880
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide (CID 17453541) is N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide is CC(NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The InChIKey is OLZLCNLQHKDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 17453541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).