3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide

C12H16BrNOS — CID 60783055

IUPAC3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c1-8(2)14(7-9-3-4-9)12(15)11-10(13)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAGBVCCZJWFWHMQ-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.77
Rot. Bonds4

About 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide

3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 60783055) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID60783055
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c1-8(2)14(7-9-3-4-9)12(15)11-10(13)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAGBVCCZJWFWHMQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 55238418
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 60783055) is 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CC1CC1)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is AGBVCCZJWFWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8(2)14(7-9-3-4-9)12(15)11-10(13)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 60783055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).