2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide

C18H21ClN2OS — CID 9298310

IUPAC2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC=CCN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2OS/c1-3-11-21(12-16-9-10-17(19)23-16)13-18(22)20-14(2)15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,20,22)/t14-/m1/s1
InChIKeyMWKQRTMBQVKBEM-CQSZACIVSA-N
MW348.90 g/mol
LogP4.27
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide

2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9298310) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9298310
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC=CCN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2OS/c1-3-11-21(12-16-9-10-17(19)23-16)13-18(22)20-14(2)15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,20,22)/t14-/m1/s1
InChIKeyMWKQRTMBQVKBEM-CQSZACIVSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541056
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 9298290
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
CID 78792303
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-phenylpropanamide
CID 8773794
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55411654
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9262117
N-(2-bromo-4,6-difluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide
CID 78828504
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide (CID 9298310) is 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide is C=CCN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is MWKQRTMBQVKBEM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-3-11-21(12-16-9-10-17(19)23-16)13-18(22)20-14(2)15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide?
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 348.90 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9298310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).