N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C22H33N3O4S3 — CID 55559916

IUPACN-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H33N3O4S3/c1-3-23(4-2)16-17-25(19-20-9-8-18-30-20)32(28,29)22-12-10-21(11-13-22)31(26,27)24-14-6-5-7-15-24/h8-13,18H,3-7,14-17,19H2,1-2H3
InChIKeyMSRRIUQZUJWFRO-UHFFFAOYSA-N
MW499.72 g/mol
LogP3.46
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 55559916) has the molecular formula C22H33N3O4S3 and a molecular weight of 499.72 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID55559916
Molecular FormulaC22H33N3O4S3
Molecular Weight499.72 g/mol
Exact Mass499.16
IUPAC NameN-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H33N3O4S3/c1-3-23(4-2)16-17-25(19-20-9-8-18-30-20)32(28,29)22-12-10-21(11-13-22)31(26,27)24-14-6-5-7-15-24/h8-13,18H,3-7,14-17,19H2,1-2H3
InChIKeyMSRRIUQZUJWFRO-UHFFFAOYSA-N
XLogP3.46
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 1176692
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
N-[(2-chlorophenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 98124219
2-[4-(azepan-1-ylsulfonyl)anilino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78795390
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8718133
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 55559916) is N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MSRRIUQZUJWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S3/c1-3-23(4-2)16-17-25(19-20-9-8-18-30-20)32(28,29)22-12-10-21(11-13-22)31(26,27)24-14-6-5-7-15-24/h8-13,18H,3-7,14-17,19H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 499.72 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).