N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide

C19H28N4O5S — CID 8547395

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(N)=O)CC1
InChIInChI=1S/C19H28N4O5S/c1-19(2,3)22-16(24)12-21-18(26)13-8-10-23(11-9-13)29(27,28)15-7-5-4-6-14(15)17(20)25/h4-7,13H,8-12H2,1-3H3,(H2,20,25)(H,21,26)(H,22,24)
InChIKeyHSCWGEXQCSEFAZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP0.22
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 8547395) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID8547395
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(N)=O)CC1
InChIInChI=1S/C19H28N4O5S/c1-19(2,3)22-16(24)12-21-18(26)13-8-10-23(11-9-13)29(27,28)15-7-5-4-6-14(15)17(20)25/h4-7,13H,8-12H2,1-3H3,(H2,20,25)(H,21,26)(H,22,24)
InChIKeyHSCWGEXQCSEFAZ-UHFFFAOYSA-N
XLogP0.22
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 8531440
2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide
CID 9070922
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 42990230
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
[2-(tert-butylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46791174
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 42582764
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
methyl 2-[4-[(2-tert-butyl-5-methylpyrazol-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55727273
2-(4-methylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 24690272
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide (CID 8547395) is N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(N)=O)CC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HSCWGEXQCSEFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-19(2,3)22-16(24)12-21-18(26)13-8-10-23(11-9-13)29(27,28)15-7-5-4-6-14(15)17(20)25/h4-7,13H,8-12H2,1-3H3,(H2,20,25)(H,21,26)(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8547395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).