2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide

C18H21N3O5S2 — CID 12005858

IUPAC2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC(C)O1
InChIInChI=1S/C18H21N3O5S2/c1-11-9-21(10-12(2)26-11)28(24,25)14-5-3-13(4-6-14)17(23)20-18-15(16(19)22)7-8-27-18/h3-8,11-12H,9-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyHNMULCWIQZVHCA-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.90
Rot. Bonds5

About 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide

2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (PubChem CID 12005858) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
PubChem CID12005858
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC Name2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC(C)O1
InChIInChI=1S/C18H21N3O5S2/c1-11-9-21(10-12(2)26-11)28(24,25)14-5-3-13(4-6-14)17(23)20-18-15(16(19)22)7-8-27-18/h3-8,11-12H,9-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyHNMULCWIQZVHCA-UHFFFAOYSA-N
XLogP1.90
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Ethyl-2-(4-((4-ethylpiperazin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 16896338
1-(3-((Morpholin-2-ylmethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560938
Ethyl 4-[4-({3-carbamoyl-6-ethyl-4H,5H,6H,7H-thieno[2,3-C]pyridin-2-YL}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate
CID 3285956
[2-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophen-3-yl]-morpholin-4-ylmethanone
CID 1096298
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
2-(4-(Piperidin-1-ylsulfonyl)benzamido)thiophene-3-carboxamide
CID 2501747
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
6-ethyl-N-methyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3264076
2-(4-(N,N-diisobutylsulfamoyl)benzamido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3284133
6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3285954
6-Isopropyl-2-(4-((2-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3361723
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3381162

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (CID 12005858) is 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC(C)O1.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The InChIKey is HNMULCWIQZVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-11-9-21(10-12(2)26-11)28(24,25)14-5-3-13(4-6-14)17(23)20-18-15(16(19)22)7-8-27-18/h3-8,11-12H,9-10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 12005858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).