3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

C25H28ClN3O3S2 — CID 143785114

IUPAC3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1S(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C
InChIInChI=1S/C25H28ClN3O3S2/c1-15-14-19(26)5-6-21(15)34(31)28-20-7-12-33-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-32-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30)
InChIKeyMTWZDHXDBRMODO-UHFFFAOYSA-N
MW518.10 g/mol
LogP5.86
Rot. Bonds6

About 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 143785114) has the molecular formula C25H28ClN3O3S2 and a molecular weight of 518.10 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID143785114
Molecular FormulaC25H28ClN3O3S2
Molecular Weight518.10 g/mol
Exact Mass517.13
IUPAC Name3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1S(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C
InChIInChI=1S/C25H28ClN3O3S2/c1-15-14-19(26)5-6-21(15)34(31)28-20-7-12-33-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-32-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30)
InChIKeyMTWZDHXDBRMODO-UHFFFAOYSA-N
XLogP5.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.10
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide with MolForge

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Related Compounds

3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785127
3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 25252988
N-(5-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18206899
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604038
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959913
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 143785114) is 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(Cl)ccc1S(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is MTWZDHXDBRMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3S2/c1-15-14-19(26)5-6-21(15)34(31)28-20-7-12-33-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-32-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30).
What are the key properties of 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 518.10 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 143785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).