1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide

C22H21N3O4S2 — CID 16861664

IUPAC1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H21N3O4S2/c26-21(15-7-6-12-25(13-15)31(27,28)16-8-2-1-3-9-16)24-22-23-20-17-10-4-5-11-18(17)29-14-19(20)30-22/h1-5,8-11,15H,6-7,12-14H2,(H,23,24,26)
InChIKeyNDHKDBJOXKPGAY-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.74
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16861664) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
PubChem CID16861664
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC Name1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H21N3O4S2/c26-21(15-7-6-12-25(13-15)31(27,28)16-8-2-1-3-9-16)24-22-23-20-17-10-4-5-11-18(17)29-14-19(20)30-22/h1-5,8-11,15H,6-7,12-14H2,(H,23,24,26)
InChIKeyNDHKDBJOXKPGAY-UHFFFAOYSA-N
XLogP3.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 16828983
1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16828973
1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16829204
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 16861864
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide
CID 55765498
1-(benzenesulfonyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 133167934
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (CID 16861664) is 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is NDHKDBJOXKPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c26-21(15-7-6-12-25(13-15)31(27,28)16-8-2-1-3-9-16)24-22-23-20-17-10-4-5-11-18(17)29-14-19(20)30-22/h1-5,8-11,15H,6-7,12-14H2,(H,23,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16861664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).