N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

C20H25N5O6S2 — CID 55697164

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N5O6S2/c26-20(23-7-9-24(10-8-23)33(29,30)19-5-2-6-21-16-19)22-17-3-1-4-18(15-17)32(27,28)25-11-13-31-14-12-25/h1-6,15-16H,7-14H2,(H,22,26)
InChIKeyVRSKMCPQQHSQNM-UHFFFAOYSA-N
MW495.58 g/mol
LogP0.64
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55697164) has the molecular formula C20H25N5O6S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
PubChem CID55697164
Molecular FormulaC20H25N5O6S2
Molecular Weight495.58 g/mol
Exact Mass495.12
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N5O6S2/c26-20(23-7-9-24(10-8-23)33(29,30)19-5-2-6-21-16-19)22-17-3-1-4-18(15-17)32(27,28)25-11-13-31-14-12-25/h1-6,15-16H,7-14H2,(H,22,26)
InChIKeyVRSKMCPQQHSQNM-UHFFFAOYSA-N
XLogP0.64
TPSA129.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56556817
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 95786560
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (CID 55697164) is N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is VRSKMCPQQHSQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6S2/c26-20(23-7-9-24(10-8-23)33(29,30)19-5-2-6-21-16-19)22-17-3-1-4-18(15-17)32(27,28)25-11-13-31-14-12-25/h1-6,15-16H,7-14H2,(H,22,26).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55697164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).