2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C16H17N3O5S2 — CID 5044047

IUPAC2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-14(20)13-5-10-25-16(13)18-15(21)11-1-3-12(4-2-11)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H2,17,20)(H,18,21)
InChIKeyYEOKXRHZQBEZSE-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.12
Rot. Bonds5

About 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 5044047) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID5044047
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-14(20)13-5-10-25-16(13)18-15(21)11-1-3-12(4-2-11)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H2,17,20)(H,18,21)
InChIKeyYEOKXRHZQBEZSE-UHFFFAOYSA-N
XLogP1.12
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 29469902
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxamide
CID 2533457
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 5044047) is 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is YEOKXRHZQBEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c17-14(20)13-5-10-25-16(13)18-15(21)11-1-3-12(4-2-11)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H2,17,20)(H,18,21).
What are the key properties of 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 5044047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).