5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C19H16N4O3S2 — CID 2738474

IUPAC5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H16N4O3S2/c24-28(25,19-8-7-18(27-19)17-9-12-26-22-17)23(13-15-5-1-3-10-20-15)14-16-6-2-4-11-21-16/h1-12H,13-14H2
InChIKeyJYFSHHMSGLNMNP-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.58
Rot. Bonds7

About 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide

5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2738474) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID2738474
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H16N4O3S2/c24-28(25,19-8-7-18(27-19)17-9-12-26-22-17)23(13-15-5-1-3-10-20-15)14-16-6-2-4-11-21-16/h1-12H,13-14H2
InChIKeyJYFSHHMSGLNMNP-UHFFFAOYSA-N
XLogP3.58
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 54531121
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 122155298
2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
CID 22326476

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 2738474) is 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(-c2ccon2)s1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is JYFSHHMSGLNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c24-28(25,19-8-7-18(27-19)17-9-12-26-22-17)23(13-15-5-1-3-10-20-15)14-16-6-2-4-11-21-16/h1-12H,13-14H2.
What are the key properties of 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 412.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-yl)-N,N-bis(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2738474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).