4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide

C23H25N3O2S — CID 9136177

IUPAC4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-2-4-16-6-8-17(9-7-16)22(20-5-3-14-29-20)25-15-21(27)26-19-12-10-18(11-13-19)23(24)28/h3,5-14,22,25H,2,4,15H2,1H3,(H2,24,28)(H,26,27)/t22-/m1/s1
InChIKeyPMNTZNCVCJRQHQ-JOCHJYFZSA-N
MW407.54 g/mol
LogP4.12
Rot. Bonds9

About 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide

4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide (PubChem CID 9136177) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
PubChem CID9136177
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-2-4-16-6-8-17(9-7-16)22(20-5-3-14-29-20)25-15-21(27)26-19-12-10-18(11-13-19)23(24)28/h3,5-14,22,25H,2,4,15H2,1H3,(H2,24,28)(H,26,27)/t22-/m1/s1
InChIKeyPMNTZNCVCJRQHQ-JOCHJYFZSA-N
XLogP4.12
TPSA84.22 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 ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide with MolForge

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Related Compounds

4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136221
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136207
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8769587
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
2-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993496
2-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993493
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 8866090

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide (CID 9136177) is 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide is CCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)c2cccs2)cc1.
What is the InChIKey of 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The InChIKey is PMNTZNCVCJRQHQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-2-4-16-6-8-17(9-7-16)22(20-5-3-14-29-20)25-15-21(27)26-19-12-10-18(11-13-19)23(24)28/h3,5-14,22,25H,2,4,15H2,1H3,(H2,24,28)(H,26,27)/t22-/m1/s1.
What are the key properties of 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9136177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).