N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide

C25H29N5O4S — CID 70080466

IUPACN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCN(C(=O)C1CCNCC1)c1ccncc1
InChIInChI=1S/C25H29N5O4S/c31-24(18-29-35(33,34)23-6-5-19-3-1-2-4-21(19)17-23)28-15-16-30(22-9-13-27-14-10-22)25(32)20-7-11-26-12-8-20/h1-6,9-10,13-14,17,20,26,29H,7-8,11-12,15-16,18H2,(H,28,31)
InChIKeyQAWPAQAGCZMBGO-UHFFFAOYSA-N
MW495.61 g/mol
LogP1.66
Rot. Bonds9

About N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide

N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 70080466) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID70080466
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCN(C(=O)C1CCNCC1)c1ccncc1
InChIInChI=1S/C25H29N5O4S/c31-24(18-29-35(33,34)23-6-5-19-3-1-2-4-21(19)17-23)28-15-16-30(22-9-13-27-14-10-22)25(32)20-7-11-26-12-8-20/h1-6,9-10,13-14,17,20,26,29H,7-8,11-12,15-16,18H2,(H,28,31)
InChIKeyQAWPAQAGCZMBGO-UHFFFAOYSA-N
XLogP1.66
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide
CID 22721769
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
2-(naphthalen-2-ylsulfonylamino)-N-[2-[2-(1-pyrimidin-4-ylpiperidine-4-carbonyl)pyrrol-2-yl]ethyl]acetamide
CID 57306602
2-(naphthalen-2-ylsulfonylamino)-N-[3-[1-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrol-2-yl]propyl]acetamide
CID 57064607
ethyl 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propanoate
CID 22721782
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55647229
N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120602534
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide (CID 70080466) is N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCN(C(=O)C1CCNCC1)c1ccncc1.
What is the InChIKey of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is QAWPAQAGCZMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c31-24(18-29-35(33,34)23-6-5-19-3-1-2-4-21(19)17-23)28-15-16-30(22-9-13-27-14-10-22)25(32)20-7-11-26-12-8-20/h1-6,9-10,13-14,17,20,26,29H,7-8,11-12,15-16,18H2,(H,28,31).
What are the key properties of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 70080466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).