N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide

C19H18ClNO4S — CID 9366357

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESC[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18ClNO4S/c1-13(18-12-14-4-2-3-5-17(14)25-18)21-19(22)10-11-26(23,24)16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeySWBGXEUSWCVJAN-ZDUSSCGKSA-N
MW391.88 g/mol
LogP4.13
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 9366357) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID9366357
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESC[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18ClNO4S/c1-13(18-12-14-4-2-3-5-17(14)25-18)21-19(22)10-11-26(23,24)16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeySWBGXEUSWCVJAN-ZDUSSCGKSA-N
XLogP4.13
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 17492980
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 18268262
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide (CID 9366357) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide is C[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is SWBGXEUSWCVJAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-13(18-12-14-4-2-3-5-17(14)25-18)21-19(22)10-11-26(23,24)16-8-6-15(20)7-9-16/h2-9,12-13H,10-11H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 391.88 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 9366357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).