2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide

C17H28N4O3S — CID 119864454

IUPAC2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-4-8-17(2,18)16(22)19-14-6-5-7-15(13-14)25(23,24)21-11-9-20(3)10-12-21/h5-7,13H,4,8-12,18H2,1-3H3,(H,19,22)
InChIKeyRBFRTLNXTQHSHK-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide

2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide (PubChem CID 119864454) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
PubChem CID119864454
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-4-8-17(2,18)16(22)19-14-6-5-7-15(13-14)25(23,24)21-11-9-20(3)10-12-21/h5-7,13H,4,8-12,18H2,1-3H3,(H,19,22)
InChIKeyRBFRTLNXTQHSHK-UHFFFAOYSA-N
XLogP1.08
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
CID 119876362
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
(2S)-2-amino-3,3-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]butanamide
CID 119876376
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
1-[2-methyl-2-(4-methylphenyl)propyl]-3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea
CID 146123982
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
(E)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylprop-2-enamide
CID 60582072
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide (CID 119864454) is 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide is CCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The InChIKey is RBFRTLNXTQHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-8-17(2,18)16(22)19-14-6-5-7-15(13-14)25(23,24)21-11-9-20(3)10-12-21/h5-7,13H,4,8-12,18H2,1-3H3,(H,19,22).
What are the key properties of 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide?
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide has a molecular weight of 368.50 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide is sourced from PubChem (CID 119864454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).