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

C21H21N3O2S — CID 17454524

IUPACN-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C21H21N3O2S/c1-15(19-12-7-13-27-19)22-14-20(25)24-18-11-6-5-10-17(18)21(26)23-16-8-3-2-4-9-16/h2-13,15,22H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLDPNDYAVSWRSIP-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.29
Rot. Bonds7

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

N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide (PubChem CID 17454524) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
PubChem CID17454524
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C21H21N3O2S/c1-15(19-12-7-13-27-19)22-14-20(25)24-18-11-6-5-10-17(18)21(26)23-16-8-3-2-4-9-16/h2-13,15,22H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLDPNDYAVSWRSIP-UHFFFAOYSA-N
XLogP4.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide
CID 55859880
N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17453541
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
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N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The IUPAC name of N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide (CID 17454524) is N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide is CC(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
The InChIKey is LDPNDYAVSWRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15(19-12-7-13-27-19)22-14-20(25)24-18-11-6-5-10-17(18)21(26)23-16-8-3-2-4-9-16/h2-13,15,22H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide?
N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 17454524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).