N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide

C18H23NO4S — CID 110755601

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-14(2)23-17-8-10-18(11-9-17)24(20,21)19-13-12-15-4-6-16(22-3)7-5-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeySHGVIELQGLNZTO-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110755601) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110755601
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-14(2)23-17-8-10-18(11-9-17)24(20,21)19-13-12-15-4-6-16(22-3)7-5-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeySHGVIELQGLNZTO-UHFFFAOYSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide (CID 110755601) is N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is SHGVIELQGLNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14(2)23-17-8-10-18(11-9-17)24(20,21)19-13-12-15-4-6-16(22-3)7-5-15/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110755601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).