2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen

C19H28N2O2S — CID 144991813

IUPAC2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen
SMILESC/C=C(/CN(Cc1cccs1)C(=O)CN)OCC.[H][H].c1ccccc1
InChIInChI=1S/C13H20N2O2S.C6H6.H2/c1-3-11(17-4-2)9-15(13(16)8-14)10-12-6-5-7-18-12;1-2-4-6-5-3-1;/h3,5-7H,4,8-10,14H2,1-2H3;1-6H;1H/b11-3-;;
InChIKeySSHCIYCKGPSXMS-APRVNQMFSA-N
MW348.51 g/mol
LogP3.91
Rot. Bonds7

About 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen

2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen (PubChem CID 144991813) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen.

Molecular Properties

Compound Name2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen
PubChem CID144991813
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen
SMILESC/C=C(/CN(Cc1cccs1)C(=O)CN)OCC.[H][H].c1ccccc1
InChIInChI=1S/C13H20N2O2S.C6H6.H2/c1-3-11(17-4-2)9-15(13(16)8-14)10-12-6-5-7-18-12;1-2-4-6-5-3-1;/h3,5-7H,4,8-10,14H2,1-2H3;1-6H;1H/b11-3-;;
InChIKeySSHCIYCKGPSXMS-APRVNQMFSA-N
XLogP3.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913172
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen?
The IUPAC name of 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen (CID 144991813) is 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen.
What is the SMILES notation for 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen?
The canonical SMILES for 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen is C/C=C(/CN(Cc1cccs1)C(=O)CN)OCC.[H][H].c1ccccc1.
What is the InChIKey of 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen?
The InChIKey is SSHCIYCKGPSXMS-APRVNQMFSA-N. The full InChI is InChI=1S/C13H20N2O2S.C6H6.H2/c1-3-11(17-4-2)9-15(13(16)8-14)10-12-6-5-7-18-12;1-2-4-6-5-3-1;/h3,5-7H,4,8-10,14H2,1-2H3;1-6H;1H/b11-3-;;.
What are the key properties of 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen?
2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen has a molecular weight of 348.51 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen is sourced from PubChem (CID 144991813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).