N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide

C17H26N2O3S2 — CID 127470974

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)s1
InChIInChI=1S/C17H26N2O3S2/c1-2-15-8-9-16(23-15)24(21,22)18-14-10-11-19(12-14)17(20)13-6-4-3-5-7-13/h8-9,13-14,18H,2-7,10-12H2,1H3
InChIKeyRRPWVLWEFKSGDL-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide (PubChem CID 127470974) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
PubChem CID127470974
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)s1
InChIInChI=1S/C17H26N2O3S2/c1-2-15-8-9-16(23-15)24(21,22)18-14-10-11-19(12-14)17(20)13-6-4-3-5-7-13/h8-9,13-14,18H,2-7,10-12H2,1H3
InChIKeyRRPWVLWEFKSGDL-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 127470965
N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 86861131
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
2-chloro-N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
CID 99793080
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315
cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 61335545
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
N-(2-amino-1-cyclohexylethyl)-5-ethylthiophene-2-sulfonamide
CID 115309311
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide (CID 127470974) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)s1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is RRPWVLWEFKSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-2-15-8-9-16(23-15)24(21,22)18-14-10-11-19(12-14)17(20)13-6-4-3-5-7-13/h8-9,13-14,18H,2-7,10-12H2,1H3.
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 370.54 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 127470974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).