4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide

C17H28N2O4S2 — CID 20629459

IUPAC4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2cc(O)cs2)CC1
InChIInChI=1S/C17H28N2O4S2/c1-17(2,3)25(22,23)19-13-6-4-12(5-7-13)16(21)18-9-8-15-10-14(20)11-24-15/h10-13,19-20H,4-9H2,1-3H3,(H,18,21)
InChIKeyNONCBJYHYBXOMO-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.39
Rot. Bonds6

About 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 20629459) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID20629459
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC Name4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2cc(O)cs2)CC1
InChIInChI=1S/C17H28N2O4S2/c1-17(2,3)25(22,23)19-13-6-4-12(5-7-13)16(21)18-9-8-15-10-14(20)11-24-15/h10-13,19-20H,4-9H2,1-3H3,(H,18,21)
InChIKeyNONCBJYHYBXOMO-UHFFFAOYSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 20630708
N-(4-butoxy-2-hydroxyphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630419
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide (CID 20629459) is 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2cc(O)cs2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NONCBJYHYBXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-17(2,3)25(22,23)19-13-6-4-12(5-7-13)16(21)18-9-8-15-10-14(20)11-24-15/h10-13,19-20H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).