N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide

C18H21ClN2O2S — CID 34132705

IUPACN-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O2S/c1-2-21(13-15-10-11-16(19)24-15)17(22)9-6-12-20-18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,20,23)
InChIKeyAHFDPRZHOIZXSB-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.96
Rot. Bonds8

About N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide

N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide (PubChem CID 34132705) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
PubChem CID34132705
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC NameN-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O2S/c1-2-21(13-15-10-11-16(19)24-15)17(22)9-6-12-20-18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,20,23)
InChIKeyAHFDPRZHOIZXSB-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
CID 55916150
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide (CID 34132705) is N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide is CCN(Cc1ccc(Cl)s1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide?
The InChIKey is AHFDPRZHOIZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-2-21(13-15-10-11-16(19)24-15)17(22)9-6-12-20-18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,20,23).
What are the key properties of N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide?
N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide has a molecular weight of 364.90 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 34132705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).