N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide

C14H15N3O5S2 — CID 140662590

IUPACN-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
SMILESCc1nccc(NC(=O)C(C)O)c1S(=O)(=O)NC(=O)c1ccsc1
InChIInChI=1S/C14H15N3O5S2/c1-8-12(11(3-5-15-8)16-13(19)9(2)18)24(21,22)17-14(20)10-4-6-23-7-10/h3-7,9,18H,1-2H3,(H,17,20)(H,15,16,19)
InChIKeyDIYFDBXJYPBXDJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.89
Rot. Bonds5

About N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide

N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide (PubChem CID 140662590) has the molecular formula C14H15N3O5S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
PubChem CID140662590
Molecular FormulaC14H15N3O5S2
Molecular Weight369.42 g/mol
Exact Mass369.05
IUPAC NameN-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
SMILESCc1nccc(NC(=O)C(C)O)c1S(=O)(=O)NC(=O)c1ccsc1
InChIInChI=1S/C14H15N3O5S2/c1-8-12(11(3-5-15-8)16-13(19)9(2)18)24(21,22)17-14(20)10-4-6-23-7-10/h3-7,9,18H,1-2H3,(H,17,20)(H,15,16,19)
InChIKeyDIYFDBXJYPBXDJ-UHFFFAOYSA-N
XLogP0.89
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide (CID 140662590) is N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide is Cc1nccc(NC(=O)C(C)O)c1S(=O)(=O)NC(=O)c1ccsc1.
What is the InChIKey of N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The InChIKey is DIYFDBXJYPBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S2/c1-8-12(11(3-5-15-8)16-13(19)9(2)18)24(21,22)17-14(20)10-4-6-23-7-10/h3-7,9,18H,1-2H3,(H,17,20)(H,15,16,19).
What are the key properties of N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxypropanoylamino)-2-methyl-3-pyridinyl]sulfonyl]thiophene-3-carboxamide is sourced from PubChem (CID 140662590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).