N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

C21H29N3O3S2 — CID 11698515

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(CC4CC4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H29N3O3S2/c1-3-16-12-18(14(2)22-21(16)25)19-6-7-20(28-19)29(26,27)23-17-8-10-24(11-9-17)13-15-4-5-15/h6-7,12,15,17,23H,3-5,8-11,13H2,1-2H3,(H,22,25)
InChIKeyPPHRRXPSBZVCTH-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.13
Rot. Bonds7

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 11698515) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID11698515
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(CC4CC4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H29N3O3S2/c1-3-16-12-18(14(2)22-21(16)25)19-6-7-20(28-19)29(26,27)23-17-8-10-24(11-9-17)13-15-4-5-15/h6-7,12,15,17,23H,3-5,8-11,13H2,1-2H3,(H,22,25)
InChIKeyPPHRRXPSBZVCTH-UHFFFAOYSA-N
XLogP3.13
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (CID 11698515) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NC3CCN(CC4CC4)CC3)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is PPHRRXPSBZVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c1-3-16-12-18(14(2)22-21(16)25)19-6-7-20(28-19)29(26,27)23-17-8-10-24(11-9-17)13-15-4-5-15/h6-7,12,15,17,23H,3-5,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 435.62 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11698515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).