3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide

C20H21ClN2O4S — CID 55933558

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
SMILESCc1c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C20H21ClN2O4S/c1-13-17-8-3-4-9-18(17)27-20(13)14(2)23-19(24)10-11-22-28(25,26)16-7-5-6-15(21)12-16/h3-9,12,14,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyILONRUYKEQCBOQ-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.94
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 55933558) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
PubChem CID55933558
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
SMILESCc1c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C20H21ClN2O4S/c1-13-17-8-3-4-9-18(17)27-20(13)14(2)23-19(24)10-11-22-28(25,26)16-7-5-6-15(21)12-16/h3-9,12,14,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyILONRUYKEQCBOQ-UHFFFAOYSA-N
XLogP3.94
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762035
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide (CID 55933558) is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide is Cc1c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)oc2ccccc12.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is ILONRUYKEQCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-13-17-8-3-4-9-18(17)27-20(13)14(2)23-19(24)10-11-22-28(25,26)16-7-5-6-15(21)12-16/h3-9,12,14,22H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 420.92 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 55933558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).