N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C17H18N2O4S — CID 110711871

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc3ccccc3o2)c(C)c1
InChIInChI=1S/C17H18N2O4S/c1-12-11-13(22-2)7-8-16(12)24(20,21)18-10-9-17-19-14-5-3-4-6-15(14)23-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyAXTZTIDJZNMNKT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110711871) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110711871
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc3ccccc3o2)c(C)c1
InChIInChI=1S/C17H18N2O4S/c1-12-11-13(22-2)7-8-16(12)24(20,21)18-10-9-17-19-14-5-3-4-6-15(14)23-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyAXTZTIDJZNMNKT-UHFFFAOYSA-N
XLogP2.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320601
4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
CID 86974941
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 110321999
2,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320320
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110711871) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc3ccccc3o2)c(C)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is AXTZTIDJZNMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-11-13(22-2)7-8-16(12)24(20,21)18-10-9-17-19-14-5-3-4-6-15(14)23-17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).