N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide

C12H18N2O2S — CID 4104414

IUPACN-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)5-6-13-11(15)8-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWUSIYRZNEGVABR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4104414) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4104414
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)5-6-13-11(15)8-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWUSIYRZNEGVABR-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
N-cyclooctylthiophene-2-carboxamide
CID 673377
N2-cyclopropylmethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820416

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 4104414) is N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide is CC(C)CCNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WUSIYRZNEGVABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)5-6-13-11(15)8-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4104414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).