[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid

C14H22N2O5S — CID 121268660

IUPAC[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)O)c1OC
InChIInChI=1S/C14H22N2O5S/c1-6-22(19,20)16-11-8-9(14(2,3)4)7-10(12(11)21-5)15-13(17)18/h7-8,15-16H,6H2,1-5H3,(H,17,18)
InChIKeySFHQGRYSSABQDS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.84
Rot. Bonds5

About [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid

[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid (PubChem CID 121268660) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid.

Molecular Properties

Compound Name[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid
PubChem CID121268660
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)O)c1OC
InChIInChI=1S/C14H22N2O5S/c1-6-22(19,20)16-11-8-9(14(2,3)4)7-10(12(11)21-5)15-13(17)18/h7-8,15-16H,6H2,1-5H3,(H,17,18)
InChIKeySFHQGRYSSABQDS-UHFFFAOYSA-N
XLogP2.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid
CID 121268677
[5-tert-butyl-2-methoxy-3-(3-phenylmethoxypropylsulfonylamino)phenyl]carbamic acid
CID 121255533
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
tert-butyl N-[5-tert-butyl-3-[5-tert-butyl-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methoxyphenyl]carbamate
CID 102391021
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-ethynyl-4-methylbenzamide
CID 59495612
N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide
CID 129311331
2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
CID 69399643
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-fluoro-4-methyl-5-phenylmethoxybenzamide
CID 67217582
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3,4-dimethyl-5-nitrobenzamide
CID 21079206
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
CID 67491415
N-[5-tert-butyl-2-methoxy-3-(propylsulfonylamino)phenyl]-2-[4-(3-cyanopropoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965399
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-(4-methoxynaphthalen-1-yl)-2-oxoacetamide
CID 16733917

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The IUPAC name of [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid (CID 121268660) is [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid.
What is the SMILES notation for [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The canonical SMILES for [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid is CCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)O)c1OC.
What is the InChIKey of [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The InChIKey is SFHQGRYSSABQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-6-22(19,20)16-11-8-9(14(2,3)4)7-10(12(11)21-5)15-13(17)18/h7-8,15-16H,6H2,1-5H3,(H,17,18).
What are the key properties of [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid?
[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid has a molecular weight of 330.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid is sourced from PubChem (CID 121268660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).