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

C21H30N4O4S2 — CID 162747414

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC(C)C)s1
InChIInChI=1S/C21H30N4O4S2/c1-5-16-13-22-21(30-16)23-20(26)18-12-17(6-7-19(18)24(4)14-15(2)3)31(27,28)25-8-10-29-11-9-25/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,22,23,26)
InChIKeyINXYZNJOWSYUFG-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.07
Rot. Bonds8

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

N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 162747414) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID162747414
Molecular FormulaC21H30N4O4S2
Molecular Weight466.63 g/mol
Exact Mass466.17
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC(C)C)s1
InChIInChI=1S/C21H30N4O4S2/c1-5-16-13-22-21(30-16)23-20(26)18-12-17(6-7-19(18)24(4)14-15(2)3)31(27,28)25-8-10-29-11-9-25/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,22,23,26)
InChIKeyINXYZNJOWSYUFG-UHFFFAOYSA-N
XLogP3.07
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 162747418
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853455
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)-(2-methylpropyl)amino]propanoate
CID 55890902
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 16559311
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide (CID 162747414) is N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide is CCc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)CC(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is INXYZNJOWSYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c1-5-16-13-22-21(30-16)23-20(26)18-12-17(6-7-19(18)24(4)14-15(2)3)31(27,28)25-8-10-29-11-9-25/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,22,23,26).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 466.63 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-[methyl(2-methylpropyl)amino]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 162747414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).