3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide

C18H22ClNO3S — CID 31288260

IUPAC3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccs2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C18H22ClNO3S/c1-12(2)6-7-23-17-15(19)9-13(10-16(17)22-3)18(21)20-11-14-5-4-8-24-14/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,20,21)
InChIKeyIMWFVELGHJRYFQ-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.76
Rot. Bonds8

About 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31288260) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31288260
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccs2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C18H22ClNO3S/c1-12(2)6-7-23-17-15(19)9-13(10-16(17)22-3)18(21)20-11-14-5-4-8-24-14/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,20,21)
InChIKeyIMWFVELGHJRYFQ-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 54793444
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 52792141
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 38540995
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 46618381
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide (CID 31288260) is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide is COc1cc(C(=O)NCc2cccs2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is IMWFVELGHJRYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-12(2)6-7-23-17-15(19)9-13(10-16(17)22-3)18(21)20-11-14-5-4-8-24-14/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide?
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 367.90 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31288260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).