N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide

C23H23N3O2S — CID 41103017

IUPACN-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H23N3O2S/c27-21(26-19-10-5-4-9-18(19)23(28)25-17-12-13-17)15-24-22(20-11-6-14-29-20)16-7-2-1-3-8-16/h1-11,14,17,22,24H,12-13,15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyIUFMPKZYTSPMKI-JOCHJYFZSA-N
MW405.52 g/mol
LogP3.96
Rot. Bonds8

About N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide (PubChem CID 41103017) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
PubChem CID41103017
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H23N3O2S/c27-21(26-19-10-5-4-9-18(19)23(28)25-17-12-13-17)15-24-22(20-11-6-14-29-20)16-7-2-1-3-8-16/h1-11,14,17,22,24H,12-13,15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyIUFMPKZYTSPMKI-JOCHJYFZSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9050475
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17454524
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide (CID 41103017) is N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide is O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is IUFMPKZYTSPMKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-21(26-19-10-5-4-9-18(19)23(28)25-17-12-13-17)15-24-22(20-11-6-14-29-20)16-7-2-1-3-8-16/h1-11,14,17,22,24H,12-13,15H2,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 405.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 41103017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).