(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

C16H19N3O4S — CID 129370750

IUPAC(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C16H19N3O4S/c1-10-15(11(2)19(3)17-10)24(21,22)18-16(20)13-8-9-23-14-7-5-4-6-12(13)14/h4-7,13H,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHHYPBEXDWGFXKH-ZDUSSCGKSA-N
MW349.41 g/mol
LogP1.41
Rot. Bonds3

About (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 129370750) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID129370750
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C16H19N3O4S/c1-10-15(11(2)19(3)17-10)24(21,22)18-16(20)13-8-9-23-14-7-5-4-6-12(13)14/h4-7,13H,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHHYPBEXDWGFXKH-ZDUSSCGKSA-N
XLogP1.41
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310200
1,3,5-trimethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyrazole-4-sulfonamide
CID 72920988
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806401
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355226
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 129370750) is (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is HHYPBEXDWGFXKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-15(11(2)19(3)17-10)24(21,22)18-16(20)13-8-9-23-14-7-5-4-6-12(13)14/h4-7,13H,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
(4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 129370750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).