1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide

C25H19N5O3S — CID 70947401

IUPAC1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C25H19N5O3S/c1-33-21-14-8-7-13-20(21)26-24(32)19-15-22(17-11-5-6-12-18(17)23(19)31)34-25-27-28-29-30(25)16-9-3-2-4-10-16/h2-15,31H,1H3,(H,26,32)
InChIKeyQFDMYDGYOCRTDC-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.93
Rot. Bonds6

About 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide

1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide (PubChem CID 70947401) has the molecular formula C25H19N5O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide
PubChem CID70947401
Molecular FormulaC25H19N5O3S
Molecular Weight469.53 g/mol
Exact Mass469.12
IUPAC Name1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C25H19N5O3S/c1-33-21-14-8-7-13-20(21)26-24(32)19-15-22(17-11-5-6-12-18(17)23(19)31)34-25-27-28-29-30(25)16-9-3-2-4-10-16/h2-15,31H,1H3,(H,26,32)
InChIKeyQFDMYDGYOCRTDC-UHFFFAOYSA-N
XLogP4.93
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chlorohexadecan-5-yl N-[1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carbonyl]carbamate
CID 54114437
N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
CID 20678328
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274459
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
4-fluoro-N-[4-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylnaphthalen-1-yl]benzenesulfonamide
CID 4826347
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
1-hydroxy-N-(2-methylphenyl)-4-[4-nitro-2-[[(1-phenyltetrazol-5-yl)sulfanyloxy-propan-2-ylamino]methyl]phenoxy]naphthalene-2-carboxamide
CID 59940361
S-(1-phenyltetrazol-5-yl) N-[[2-[4-hydroxy-3-[(2-tetradeca-1,3,5,7,9,11,13-heptaynoxyphenyl)carbamoyl]naphthalen-1-yl]oxy-5-nitrophenyl]methyl]-N-propan-2-ylcarbamothioate
CID 20611969
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide (CID 70947401) is 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide?
The InChIKey is QFDMYDGYOCRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S/c1-33-21-14-8-7-13-20(21)26-24(32)19-15-22(17-11-5-6-12-18(17)23(19)31)34-25-27-28-29-30(25)16-9-3-2-4-10-16/h2-15,31H,1H3,(H,26,32).
What are the key properties of 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide?
1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide is sourced from PubChem (CID 70947401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).