N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide

C21H21N3O2S — CID 8866090

IUPACN-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C21H21N3O2S/c1-22-21(26)16-9-5-10-17(13-16)24-19(25)14-23-20(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-13,20,23H,14H2,1H3,(H,22,26)(H,24,25)/t20-/m0/s1
InChIKeyUHDZKADQGXVICY-FQEVSTJZSA-N
MW379.49 g/mol
LogP3.43
Rot. Bonds7

About N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide

N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide (PubChem CID 8866090) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
PubChem CID8866090
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C21H21N3O2S/c1-22-21(26)16-9-5-10-17(13-16)24-19(25)14-23-20(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-13,20,23H,14H2,1H3,(H,22,26)(H,24,25)/t20-/m0/s1
InChIKeyUHDZKADQGXVICY-FQEVSTJZSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidobenzoate
CID 9491556
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9050475
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8769587

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide (CID 8866090) is N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)c1.
What is the InChIKey of N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is UHDZKADQGXVICY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-22-21(26)16-9-5-10-17(13-16)24-19(25)14-23-20(18-11-6-12-27-18)15-7-3-2-4-8-15/h2-13,20,23H,14H2,1H3,(H,22,26)(H,24,25)/t20-/m0/s1.
What are the key properties of N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 379.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).