N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C21H28N2O4S2 — CID 55733038

IUPACN-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCC(C)CCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1
InChIInChI=1S/C21H28N2O4S2/c1-16(2)12-13-23(18-6-7-18)20(24)15-27-19-10-8-17(9-11-19)22(3)29(25,26)21-5-4-14-28-21/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3
InChIKeyURXBTCKLNOQEHR-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.99
Rot. Bonds10

About N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 55733038) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID55733038
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCC(C)CCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1
InChIInChI=1S/C21H28N2O4S2/c1-16(2)12-13-23(18-6-7-18)20(24)15-27-19-10-8-17(9-11-19)22(3)29(25,26)21-5-4-14-28-21/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3
InChIKeyURXBTCKLNOQEHR-UHFFFAOYSA-N
XLogP3.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide with MolForge

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Related Compounds

3-methylbutyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 30138427
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 112788312
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-[4-[2-[(2S)-2-[(2R)-2-hydroxypropyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 97086808
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31237396
N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 2380780
N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41113157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 55733038) is N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CC(C)CCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is URXBTCKLNOQEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-16(2)12-13-23(18-6-7-18)20(24)15-27-19-10-8-17(9-11-19)22(3)29(25,26)21-5-4-14-28-21/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 436.60 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 55733038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).