N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C21H27N3O4S2 — CID 126470422

IUPACN-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccs1
InChIInChI=1S/C21H27N3O4S2/c25-21(20-2-1-15-29-20)22-16-17-7-9-23(10-8-17)18-3-5-19(6-4-18)30(26,27)24-11-13-28-14-12-24/h1-6,15,17H,7-14,16H2,(H,22,25)
InChIKeyDZZAVZHJAONNES-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.42
Rot. Bonds6

About N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 126470422) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID126470422
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC NameN-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccs1
InChIInChI=1S/C21H27N3O4S2/c25-21(20-2-1-15-29-20)22-16-17-7-9-23(10-8-17)18-3-5-19(6-4-18)30(26,27)24-11-13-28-14-12-24/h1-6,15,17H,7-14,16H2,(H,22,25)
InChIKeyDZZAVZHJAONNES-UHFFFAOYSA-N
XLogP2.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 6489668
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342
N-cyclopropyl-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 651633
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 650322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 126470422) is N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DZZAVZHJAONNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c25-21(20-2-1-15-29-20)22-16-17-7-9-23(10-8-17)18-3-5-19(6-4-18)30(26,27)24-11-13-28-14-12-24/h1-6,15,17H,7-14,16H2,(H,22,25).
What are the key properties of N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 126470422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).