N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

C12H18N4O4S2 — CID 30028161

IUPACN-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(N)=O)nc1
InChIInChI=1S/C12H18N4O4S2/c1-3-16(4-2)22(19,20)9-5-6-11(14-7-9)21-8-10(17)15-12(13)18/h5-7H,3-4,8H2,1-2H3,(H3,13,15,17,18)
InChIKeySQHQFWZPGFMOMA-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.40
Rot. Bonds7

About N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 30028161) has the molecular formula C12H18N4O4S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID30028161
Molecular FormulaC12H18N4O4S2
Molecular Weight346.43 g/mol
Exact Mass346.08
IUPAC NameN-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(N)=O)nc1
InChIInChI=1S/C12H18N4O4S2/c1-3-16(4-2)22(19,20)9-5-6-11(14-7-9)21-8-10(17)15-12(13)18/h5-7H,3-4,8H2,1-2H3,(H3,13,15,17,18)
InChIKeySQHQFWZPGFMOMA-UHFFFAOYSA-N
XLogP0.40
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30028187
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55373450
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364648
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 24589582
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (CID 30028161) is N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(N)=O)nc1.
What is the InChIKey of N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is SQHQFWZPGFMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S2/c1-3-16(4-2)22(19,20)9-5-6-11(14-7-9)21-8-10(17)15-12(13)18/h5-7H,3-4,8H2,1-2H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 30028161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).