2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide

C23H28N4O2S — CID 56566505

IUPAC2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NC(c3cccs3)C3CCCC3)ccc21
InChIInChI=1S/C23H28N4O2S/c1-26(2)21(28)15-27-12-11-17-14-18(9-10-19(17)27)24-23(29)25-22(16-6-3-4-7-16)20-8-5-13-30-20/h5,8-14,16,22H,3-4,6-7,15H2,1-2H3,(H2,24,25,29)
InChIKeyHPJVJMVJINZIIB-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.84
Rot. Bonds6

About 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide

2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 56566505) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
PubChem CID56566505
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NC(c3cccs3)C3CCCC3)ccc21
InChIInChI=1S/C23H28N4O2S/c1-26(2)21(28)15-27-12-11-17-14-18(9-10-19(17)27)24-23(29)25-22(16-6-3-4-7-16)20-8-5-13-30-20/h5,8-14,16,22H,3-4,6-7,15H2,1-2H3,(H2,24,25,29)
InChIKeyHPJVJMVJINZIIB-UHFFFAOYSA-N
XLogP4.84
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide 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,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
1-[(S)-cyclopentyl(thiophen-2-yl)methyl]-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
CID 95575157
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 56566381
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide
CID 47050579

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide (CID 56566505) is 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2cc(NC(=O)NC(c3cccs3)C3CCCC3)ccc21.
What is the InChIKey of 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is HPJVJMVJINZIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-26(2)21(28)15-27-12-11-17-14-18(9-10-19(17)27)24-23(29)25-22(16-6-3-4-7-16)20-8-5-13-30-20/h5,8-14,16,22H,3-4,6-7,15H2,1-2H3,(H2,24,25,29).
What are the key properties of 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 424.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).