N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide

C19H31B2NO5S — CID 134128547

IUPACN,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide
SMILESCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H31B2NO5S/c1-16(2)17(3,4)25-20(24-16)13-11-12(15(23)22(9)10)14(28-13)21-26-18(5,6)19(7,8)27-21/h11H,1-10H3
InChIKeyPPEZWPFHWRUBCW-UHFFFAOYSA-N
MW407.15 g/mol
LogP2.05
Rot. Bonds3

About N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide

N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide (PubChem CID 134128547) has the molecular formula C19H31B2NO5S and a molecular weight of 407.15 g/mol. Its IUPAC name is N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide
PubChem CID134128547
Molecular FormulaC19H31B2NO5S
Molecular Weight407.15 g/mol
Exact Mass407.21
IUPAC NameN,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide
SMILESCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H31B2NO5S/c1-16(2)17(3,4)25-20(24-16)13-11-12(15(23)22(9)10)14(28-13)21-26-18(5,6)19(7,8)27-21/h11H,1-10H3
InChIKeyPPEZWPFHWRUBCW-UHFFFAOYSA-N
XLogP2.05
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 140674111
ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
CID 175030972
N,N,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 66818683
1-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone
CID 56973210
2-acetamido-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 163208251
N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 53217299
N,N,5-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-carboxamide
CID 163411000
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-g][1]benzothiol-7-yl]-1,3,2-dioxaborolane
CID 58518174
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
CID 53217118
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone
CID 53398602
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
CID 51358266
3-(difluoromethoxy)-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164888639

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide (CID 134128547) is N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide is CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide?
The InChIKey is PPEZWPFHWRUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31B2NO5S/c1-16(2)17(3,4)25-20(24-16)13-11-12(15(23)22(9)10)14(28-13)21-26-18(5,6)19(7,8)27-21/h11H,1-10H3.
What are the key properties of N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide?
N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide has a molecular weight of 407.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 134128547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).