N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide

C17H22N2OS — CID 66387714

IUPACN-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
SMILESCCCCc1ccc(NCc2sccc2NC(C)=O)cc1
InChIInChI=1S/C17H22N2OS/c1-3-4-5-14-6-8-15(9-7-14)18-12-17-16(10-11-21-17)19-13(2)20/h6-11,18H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyLQRLVZOCDDZYAK-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.66
Rot. Bonds7

About N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66387714) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66387714
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
SMILESCCCCc1ccc(NCc2sccc2NC(C)=O)cc1
InChIInChI=1S/C17H22N2OS/c1-3-4-5-14-6-8-15(9-7-14)18-12-17-16(10-11-21-17)19-13(2)20/h6-11,18H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyLQRLVZOCDDZYAK-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
methyl 3-[(4-butylphenyl)carbamothioylamino]thiophene-2-carboxylate
CID 17298675
N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66387949
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide (CID 66387714) is N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide is CCCCc1ccc(NCc2sccc2NC(C)=O)cc1.
What is the InChIKey of N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is LQRLVZOCDDZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-4-5-14-6-8-15(9-7-14)18-12-17-16(10-11-21-17)19-13(2)20/h6-11,18H,3-5,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).