(2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine

C40H61N5O5S2 — CID 143406017

About (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine

(2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 143406017) has the molecular formula C40H61N5O5S2 and a molecular weight of 756.09 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

• Compound Name: (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine
• PubChem CID: 143406017
• Molecular Formula: C40H61N5O5S2
• Molecular Weight: 756.09 g/mol
• Exact Mass: 755.41
• IUPAC Name: (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine
• SMILES: CCCC[C@H](Cc1ccsc1)NC(=O)c1cc(C=O)cc(N(C)S(=O)(=O)N(C)C)c1.CC[C@H](C)C(=O)NCC1CC1.CN[C@H](C)c1cccc(C)c1
• InChI: InChI=1S/C21H29N3O4S2.C10H15N.C9H17NO/c1-5-6-7-19(11-16-8-9-29-15-16)22-21(26)18-10-17(14-25)12-20(13-18)24(4)30(27,28)23(2)3;1-8-5-4-6-10(7-8)9(2)11-3;1-3-7(2)9(11)10-6-8-4-5-8/h8-10,12-15,19H,5-7,11H2,1-4H3,(H,22,26);4-7,9,11H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11)/t19-;9-;7-/m110/s1
• InChIKey: AZLIAMOXIFZYIY-SZPBOSHWSA-N
• XLogP: 7.17
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.09
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine?

The IUPAC name of (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine (CID 143406017) is (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine.

What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine?

The canonical SMILES for (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine is CCCC[C@H](Cc1ccsc1)NC(=O)c1cc(C=O)cc(N(C)S(=O)(=O)N(C)C)c1.CC[C@H](C)C(=O)NCC1CC1.CN[C@H](C)c1cccc(C)c1.

What is the InChIKey of (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine?

The InChIKey is AZLIAMOXIFZYIY-SZPBOSHWSA-N. The full InChI is InChI=1S/C21H29N3O4S2.C10H15N.C9H17NO/c1-5-6-7-19(11-16-8-9-29-15-16)22-21(26)18-10-17(14-25)12-20(13-18)24(4)30(27,28)23(2)3;1-8-5-4-6-10(7-8)9(2)11-3;1-3-7(2)9(11)10-6-8-4-5-8/h8-10,12-15,19H,5-7,11H2,1-4H3,(H,22,26);4-7,9,11H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11)/t19-;9-;7-/m110/s1.

What are the key properties of (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine?

(2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 756.09 g/mol, XLogP of 7.17, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 143406017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).