2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide

C15H18N4O4S3 — CID 27968977

IUPAC2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H18N4O4S3/c1-9(14(21)18-15-11(13(16)20)6-7-24-15)25-12-5-4-10(8-17-12)26(22,23)19(2)3/h4-9H,1-3H3,(H2,16,20)(H,18,21)/t9-/m1/s1
InChIKeyLWFLQLLVYDEXDK-SECBINFHSA-N
MW414.53 g/mol
LogP1.61
Rot. Bonds7

About 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 27968977) has the molecular formula C15H18N4O4S3 and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID27968977
Molecular FormulaC15H18N4O4S3
Molecular Weight414.53 g/mol
Exact Mass414.05
IUPAC Name2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H18N4O4S3/c1-9(14(21)18-15-11(13(16)20)6-7-24-15)25-12-5-4-10(8-17-12)26(22,23)19(2)3/h4-9H,1-3H3,(H2,16,20)(H,18,21)/t9-/m1/s1
InChIKeyLWFLQLLVYDEXDK-SECBINFHSA-N
XLogP1.61
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 41210634
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 43029283
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924879
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924878
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide (CID 27968977) is 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide is C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is LWFLQLLVYDEXDK-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N4O4S3/c1-9(14(21)18-15-11(13(16)20)6-7-24-15)25-12-5-4-10(8-17-12)26(22,23)19(2)3/h4-9H,1-3H3,(H2,16,20)(H,18,21)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 27968977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).