N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide

C12H20N2OS — CID 62058099

IUPACN-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CNC(=O)CCNC(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-9(2)13-7-6-12(15)14-8-11-5-4-10(3)16-11/h4-5,9,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyHKWXJSFSCVLWGK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.06
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide

N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 62058099) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID62058099
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CNC(=O)CCNC(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-9(2)13-7-6-12(15)14-8-11-5-4-10(3)16-11/h4-5,9,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyHKWXJSFSCVLWGK-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62057057
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
4-[3-[(5-methylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119180358
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide (CID 62058099) is N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide is Cc1ccc(CNC(=O)CCNC(C)C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is HKWXJSFSCVLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)13-7-6-12(15)14-8-11-5-4-10(3)16-11/h4-5,9,13H,6-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62058099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).