N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H24N2O5S2 — CID 113065184

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O5S2/c1-11-10-15(12(2)9-14(11)22-3)24(20,21)16-7-8-17(13-5-6-13)23(4,18)19/h9-10,13,16H,5-8H2,1-4H3
InChIKeyVBDJMMDNKVYKRF-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.01
Rot. Bonds8

About N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 113065184) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID113065184
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O5S2/c1-11-10-15(12(2)9-14(11)22-3)24(20,21)16-7-8-17(13-5-6-13)23(4,18)19/h9-10,13,16H,5-8H2,1-4H3
InChIKeyVBDJMMDNKVYKRF-UHFFFAOYSA-N
XLogP1.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 125054327

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 113065184) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is VBDJMMDNKVYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-11-10-15(12(2)9-14(11)22-3)24(20,21)16-7-8-17(13-5-6-13)23(4,18)19/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113065184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).