2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide

C19H18ClN3O4S2 — CID 53120306

IUPAC2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C19H18ClN3O4S2/c1-2-11-21-18(24)15-4-3-12-22-19(15)27-14-7-5-13(6-8-14)23-29(25,26)17-10-9-16(20)28-17/h3-10,12,23H,2,11H2,1H3,(H,21,24)
InChIKeyRHBWSLHIDPCOCU-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.53
Rot. Bonds8

About 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide

2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide (PubChem CID 53120306) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
PubChem CID53120306
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C19H18ClN3O4S2/c1-2-11-21-18(24)15-4-3-12-22-19(15)27-14-7-5-13(6-8-14)23-29(25,26)17-10-9-16(20)28-17/h3-10,12,23H,2,11H2,1H3,(H,21,24)
InChIKeyRHBWSLHIDPCOCU-UHFFFAOYSA-N
XLogP4.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088436
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120239
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide (CID 53120306) is 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The InChIKey is RHBWSLHIDPCOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c1-2-11-21-18(24)15-4-3-12-22-19(15)27-14-7-5-13(6-8-14)23-29(25,26)17-10-9-16(20)28-17/h3-10,12,23H,2,11H2,1H3,(H,21,24).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 53120306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).