N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide

C26H29N3O2S — CID 40919469

IUPACN-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
SMILESCC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C26H29N3O2S/c1-17(2)18-9-11-19(12-10-18)25(23-8-5-15-32-23)27-16-24(30)29-22-7-4-3-6-21(22)26(31)28-20-13-14-20/h3-12,15,17,20,25,27H,13-14,16H2,1-2H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKeyMDOCNGHVYVKMOT-VWLOTQADSA-N
MW447.60 g/mol
LogP5.08
Rot. Bonds9

About N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide (PubChem CID 40919469) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
PubChem CID40919469
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
SMILESCC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C26H29N3O2S/c1-17(2)18-9-11-19(12-10-18)25(23-8-5-15-32-23)27-16-24(30)29-22-7-4-3-6-21(22)26(31)28-20-13-14-20/h3-12,15,17,20,25,27H,13-14,16H2,1-2H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKeyMDOCNGHVYVKMOT-VWLOTQADSA-N
XLogP5.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
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
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748
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
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17453541
N-cyclopropyl-2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 40804188

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide (CID 40919469) is N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide is CC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
The InChIKey is MDOCNGHVYVKMOT-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-17(2)18-9-11-19(12-10-18)25(23-8-5-15-32-23)27-16-24(30)29-22-7-4-3-6-21(22)26(31)28-20-13-14-20/h3-12,15,17,20,25,27H,13-14,16H2,1-2H3,(H,28,31)(H,29,30)/t25-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide has a molecular weight of 447.60 g/mol, XLogP of 5.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 40919469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).