3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide

C16H17BrN2OS — CID 114896646

IUPAC3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)N(CC2CC2)C2CC2)sc2ccc(Br)cc12
InChIInChI=1S/C16H17BrN2OS/c17-10-3-6-13-12(7-10)14(18)15(21-13)16(20)19(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,18H2
InChIKeyGCVODIUROKSZTA-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.26
Rot. Bonds4

About 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 114896646) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID114896646
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)N(CC2CC2)C2CC2)sc2ccc(Br)cc12
InChIInChI=1S/C16H17BrN2OS/c17-10-3-6-13-12(7-10)14(18)15(21-13)16(20)19(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,18H2
InChIKeyGCVODIUROKSZTA-UHFFFAOYSA-N
XLogP4.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-N-cyclopropyl-N-propyl-1-benzothiophene-2-carboxamide
CID 114896400
3-amino-5-bromo-N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 114896710
3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114896397
3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 114896669
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide
CID 114896343
(3-amino-5-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114896389
(3-amino-5-bromo-1-benzothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114896482
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-bromo-N-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896531
3-amino-5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114896524

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide (CID 114896646) is 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide is Nc1c(C(=O)N(CC2CC2)C2CC2)sc2ccc(Br)cc12.
What is the InChIKey of 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is GCVODIUROKSZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c17-10-3-6-13-12(7-10)14(18)15(21-13)16(20)19(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,18H2.
What are the key properties of 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).