N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide

C13H22N2OS — CID 61067130

IUPACN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-5-9(2)15-13(16)11(4)14-8-12-7-6-10(3)17-12/h6-7,9,11,14H,5,8H2,1-4H3,(H,15,16)
InChIKeyMUQDIJBZDJRANR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.45
Rot. Bonds6

About N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide

N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 61067130) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
PubChem CID61067130
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-5-9(2)15-13(16)11(4)14-8-12-7-6-10(3)17-12/h6-7,9,11,14H,5,8H2,1-4H3,(H,15,16)
InChIKeyMUQDIJBZDJRANR-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
N-butan-2-yl-2-[[5-(2-nitrophenyl)thiophen-2-yl]methylamino]propanamide
CID 119108376
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61066956
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide (CID 61067130) is N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide is CCC(C)NC(=O)C(C)NCc1ccc(C)s1.
What is the InChIKey of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is MUQDIJBZDJRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-9(2)15-13(16)11(4)14-8-12-7-6-10(3)17-12/h6-7,9,11,14H,5,8H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 61067130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).