2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

C21H28N4O4S2 — CID 162747418

IUPAC2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC2CC2)sc1C
InChIInChI=1S/C21H28N4O4S2/c1-14-15(2)30-21(22-14)23-20(26)18-12-17(31(27,28)25-8-10-29-11-9-25)6-7-19(18)24(3)13-16-4-5-16/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,22,23,26)
InChIKeyXBLOEQHQVJLANG-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.88
Rot. Bonds7

About 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 162747418) has the molecular formula C21H28N4O4S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID162747418
Molecular FormulaC21H28N4O4S2
Molecular Weight464.61 g/mol
Exact Mass464.16
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC2CC2)sc1C
InChIInChI=1S/C21H28N4O4S2/c1-14-15(2)30-21(22-14)23-20(26)18-12-17(31(27,28)25-8-10-29-11-9-25)6-7-19(18)24(3)13-16-4-5-16/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,22,23,26)
InChIKeyXBLOEQHQVJLANG-UHFFFAOYSA-N
XLogP2.88
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide 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-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide
CID 162747414
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 26291689
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55787994
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16549315
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate
CID 162747426
N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 25470819
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853455
5-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 112764899
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 162747418) is 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC2CC2)sc1C.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XBLOEQHQVJLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S2/c1-14-15(2)30-21(22-14)23-20(26)18-12-17(31(27,28)25-8-10-29-11-9-25)6-7-19(18)24(3)13-16-4-5-16/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,22,23,26).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.61 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 162747418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).