N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide

C16H18N2O2S2 — CID 132581590

IUPACN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)c1sccc1Sc1ccccc1
InChIInChI=1S/C16H18N2O2S2/c1-16(2,15(20)17-3)18-14(19)13-12(9-10-21-13)22-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyZGXXSZHOYXCLPO-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.15
Rot. Bonds5

About N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide

N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide (PubChem CID 132581590) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide
PubChem CID132581590
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)c1sccc1Sc1ccccc1
InChIInChI=1S/C16H18N2O2S2/c1-16(2,15(20)17-3)18-14(19)13-12(9-10-21-13)22-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyZGXXSZHOYXCLPO-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide (CID 132581590) is N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide is CNC(=O)C(C)(C)NC(=O)c1sccc1Sc1ccccc1.
What is the InChIKey of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide?
The InChIKey is ZGXXSZHOYXCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-16(2,15(20)17-3)18-14(19)13-12(9-10-21-13)22-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide?
N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 132581590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).