N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide

C19H25N3O2S — CID 10291973

IUPACN-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H25N3O2S/c1-12-6-8-14(9-7-12)21-18(24)22-15-10-17(19(3,4)5)25-16(15)11-20-13(2)23/h6-10H,11H2,1-5H3,(H,20,23)(H2,21,22,24)
InChIKeySRNRQPAGEQTOLS-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.63
Rot. Bonds4

About N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide

N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide (PubChem CID 10291973) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
PubChem CID10291973
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H25N3O2S/c1-12-6-8-14(9-7-12)21-18(24)22-15-10-17(19(3,4)5)25-16(15)11-20-13(2)23/h6-10H,11H2,1-5H3,(H,20,23)(H2,21,22,24)
InChIKeySRNRQPAGEQTOLS-UHFFFAOYSA-N
XLogP4.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide (CID 10291973) is N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The InChIKey is SRNRQPAGEQTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12-6-8-14(9-7-12)21-18(24)22-15-10-17(19(3,4)5)25-16(15)11-20-13(2)23/h6-10H,11H2,1-5H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 10291973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).