4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide

C19H23ClN2O4S — CID 55923138

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NC(CC(C)C)c2cccs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O4S/c1-11(2)7-14(16-5-4-6-27-16)22-19(24)12-8-13(20)18(15(9-12)25-3)26-10-17(21)23/h4-6,8-9,11,14H,7,10H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeySPFOCNVNYNFVSE-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.79
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide (PubChem CID 55923138) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
PubChem CID55923138
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NC(CC(C)C)c2cccs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O4S/c1-11(2)7-14(16-5-4-6-27-16)22-19(24)12-8-13(20)18(15(9-12)25-3)26-10-17(21)23/h4-6,8-9,11,14H,7,10H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeySPFOCNVNYNFVSE-UHFFFAOYSA-N
XLogP3.79
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55820158
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
3-(difluoromethoxy)-4-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55921720
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55499160
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 8565935

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide (CID 55923138) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide is COc1cc(C(=O)NC(CC(C)C)c2cccs2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide?
The InChIKey is SPFOCNVNYNFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-11(2)7-14(16-5-4-6-27-16)22-19(24)12-8-13(20)18(15(9-12)25-3)26-10-17(21)23/h4-6,8-9,11,14H,7,10H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 55923138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).