N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide

C17H28N4O4S2 — CID 34220105

IUPACN,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1
InChIInChI=1S/C17H28N4O4S2/c1-4-19(5-2)17(23)21-12-10-20(11-13-21)16(22)15-7-6-14(26-15)8-9-18-27(3,24)25/h6-7,18H,4-5,8-13H2,1-3H3
InChIKeyVBXSNSPSBDVULK-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.06
Rot. Bonds7

About N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide

N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide (PubChem CID 34220105) has the molecular formula C17H28N4O4S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
PubChem CID34220105
Molecular FormulaC17H28N4O4S2
Molecular Weight416.57 g/mol
Exact Mass416.16
IUPAC NameN,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1
InChIInChI=1S/C17H28N4O4S2/c1-4-19(5-2)17(23)21-12-10-20(11-13-21)16(22)15-7-6-14(26-15)8-9-18-27(3,24)25/h6-7,18H,4-5,8-13H2,1-3H3
InChIKeyVBXSNSPSBDVULK-UHFFFAOYSA-N
XLogP1.06
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide (CID 34220105) is N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1.
What is the InChIKey of N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is VBXSNSPSBDVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S2/c1-4-19(5-2)17(23)21-12-10-20(11-13-21)16(22)15-7-6-14(26-15)8-9-18-27(3,24)25/h6-7,18H,4-5,8-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide?
N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 34220105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).