1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide

C17H19ClN2O3S2 — CID 46384149

IUPAC1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC1
InChIInChI=1S/C17H19ClN2O3S2/c1-2-19-16(21)17(10-3-11-17)12-4-6-13(7-5-12)20-25(22,23)15-9-8-14(18)24-15/h4-9,20H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyATTQSDQFEGVHII-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide

1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide (PubChem CID 46384149) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
PubChem CID46384149
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC1
InChIInChI=1S/C17H19ClN2O3S2/c1-2-19-16(21)17(10-3-11-17)12-4-6-13(7-5-12)20-25(22,23)15-9-8-14(18)24-15/h4-9,20H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyATTQSDQFEGVHII-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
CID 94664231
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
1-[4-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-N-butylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062328
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 44759858
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide (CID 46384149) is 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide is CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC1.
What is the InChIKey of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide?
The InChIKey is ATTQSDQFEGVHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-2-19-16(21)17(10-3-11-17)12-4-6-13(7-5-12)20-25(22,23)15-9-8-14(18)24-15/h4-9,20H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide?
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide is sourced from PubChem (CID 46384149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).