4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide

C16H19BrN2OS — CID 63323822

IUPAC4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
SMILESCN(Cc1csc(Br)c1)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H19BrN2OS/c1-19(10-12-9-15(17)21-11-12)16(20)8-7-14(18)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10,18H2,1H3
InChIKeyCGZRXYVVYQWPOQ-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.95
Rot. Bonds6

About 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide

4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide (PubChem CID 63323822) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
PubChem CID63323822
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
SMILESCN(Cc1csc(Br)c1)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H19BrN2OS/c1-19(10-12-9-15(17)21-11-12)16(20)8-7-14(18)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10,18H2,1H3
InChIKeyCGZRXYVVYQWPOQ-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 62367265
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
CID 63837429
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-phenylurea
CID 47390277
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 86839463
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide (CID 63323822) is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide is CN(Cc1csc(Br)c1)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The InChIKey is CGZRXYVVYQWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-19(10-12-9-15(17)21-11-12)16(20)8-7-14(18)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10,18H2,1H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide?
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide has a molecular weight of 367.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 63323822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).