N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C22H33N3O2S — CID 164949578

IUPACN-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCN(C)C1CCC(S(N)(=O)=NC(=O)Cc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C22H33N3O2S/c1-25(2)17-9-11-18(12-10-17)28(23,27)24-22(26)14-21-19-7-3-5-15(19)13-16-6-4-8-20(16)21/h13,17-18H,3-12,14H2,1-2H3,(H2,23,24,26,27)
InChIKeyAIMGLEKJINIOJV-UHFFFAOYSA-N
MW403.59 g/mol
LogP2.95
Rot. Bonds4

About N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 164949578) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound NameN-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID164949578
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC NameN-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCN(C)C1CCC(S(N)(=O)=NC(=O)Cc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C22H33N3O2S/c1-25(2)17-9-11-18(12-10-17)28(23,27)24-22(26)14-21-19-7-3-5-15(19)13-16-6-4-8-20(16)21/h13,17-18H,3-12,14H2,1-2H3,(H2,23,24,26,27)
InChIKeyAIMGLEKJINIOJV-UHFFFAOYSA-N
XLogP2.95
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide 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-[amino-[[1-(2-hydroxypropan-2-yl)cyclopropyl]methyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 165015685
N-[amino-(2-methyl-2-pyrrolidin-2-ylpropyl)-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 165062365
N-[amino-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-(1-methylpiperidin-3-yl)amino]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 155396528
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)acetamide
CID 146570552
1-[2-[[cyclopropyl(methyl)amino]methyl]prop-2-enylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224160
sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
CID 175793204
N-[amino-[2-[2-hydroxy-1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yl]-4-(hydroxymethyl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 146613013
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-(dimethylamino-methyl-oxo-λ6-sulfanylidene)urea
CID 154660331
1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one
CID 158485023
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-2-[8-(difluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]acetamide
CID 161279477
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[(2R)-pyrrolidin-2-yl]ethenyl]sulfonylpropan-2-one
CID 165052131

Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 164949578) is N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is CN(C)C1CCC(S(N)(=O)=NC(=O)Cc2c3c(cc4c2CCC4)CCC3)CC1.
What is the InChIKey of N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is AIMGLEKJINIOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-25(2)17-9-11-18(12-10-17)28(23,27)24-22(26)14-21-19-7-3-5-15(19)13-16-6-4-8-20(16)21/h13,17-18H,3-12,14H2,1-2H3,(H2,23,24,26,27).
What are the key properties of N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 403.59 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 164949578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).