5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C24H23N3OS — CID 163231797

IUPAC5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(Nc2ccc(N)s2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H23N3OS/c1-15-10-11-18(27-23-13-12-22(25)29-23)14-21(15)24(28)26-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-14,16,27H,25H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyHZMJPXSSLOHAAP-MRXNPFEDSA-N
MW401.54 g/mol
LogP6.03
Rot. Bonds5

About 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231797) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231797
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(Nc2ccc(N)s2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H23N3OS/c1-15-10-11-18(27-23-13-12-22(25)29-23)14-21(15)24(28)26-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-14,16,27H,25H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyHZMJPXSSLOHAAP-MRXNPFEDSA-N
XLogP6.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231572
5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
5-[(2-amino-2-methylpropyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710888
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231684
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
5-[[(2S)-2,3-diaminopropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710928

Frequently Asked Questions

What is the IUPAC name of 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231797) is 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(Nc2ccc(N)s2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is HZMJPXSSLOHAAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-15-10-11-18(27-23-13-12-22(25)29-23)14-21(15)24(28)26-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-14,16,27H,25H2,1-2H3,(H,26,28)/t16-/m1/s1.
What are the key properties of 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 401.54 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).