4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide

C17H22N2OS — CID 63324337

IUPAC4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
SMILESCc1ccsc1CN(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-13-10-11-21-16(13)12-19(2)17(20)9-8-15(18)14-6-4-3-5-7-14/h3-7,10-11,15H,8-9,12,18H2,1-2H3
InChIKeyKGAXNNTWBKEIFY-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.50
Rot. Bonds6

About 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide

4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide (PubChem CID 63324337) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
PubChem CID63324337
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
SMILESCc1ccsc1CN(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-13-10-11-21-16(13)12-19(2)17(20)9-8-15(18)14-6-4-3-5-7-14/h3-7,10-11,15H,8-9,12,18H2,1-2H3
InChIKeyKGAXNNTWBKEIFY-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
CID 63837429
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 63323822
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 18135887
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 55364335
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide (CID 63324337) is 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide is Cc1ccsc1CN(C)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide?
The InChIKey is KGAXNNTWBKEIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-10-11-21-16(13)12-19(2)17(20)9-8-15(18)14-6-4-3-5-7-14/h3-7,10-11,15H,8-9,12,18H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide?
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide has a molecular weight of 302.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 63324337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).